SCHEMBL47126

SCHEMBL47126

CCOC(=O)CCCCCBr

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
ALDH1A1 P00352 3/20 0.56
TRPA1 O75762 1/20 0.56
DGKA P23743 1/20 0.54
ALOX15 P16050 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 2/20 0.52
PAM P19021 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
USP2 O75604 1/20 0.47
KMT2A Q03164 2/20 0.47
NR1I2 O75469 1/20 0.47
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PTGS2 P35354 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31049888 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL52706 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL31049893 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL31049856 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL318062 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL1005765 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL24597734 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL3862786 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL1703446 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15
SCHEMBL31049851 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1DGKAALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2451 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122010967-A Organic fluorescent probe compound and preparation method and application thereof 内蒙古大学 2026-05-12 CN claimed
CN-119822991-A Fatty acid salt structure-containing compound, solid composition and application thereof 江苏万邦医药科技有限公司 2025-04-15 CN claimed
CN-119707878-A Naphthalene ring liquid crystal epoxy resin monomer and preparation method thereof, naphthalene ring liquid crystal epoxy resin and preparation method and application thereof 西北工业大学 2025-03-28 CN claimed
CN-118995635-A A strain for secreting psoralen and isopsoralen hybridoma cell strain of plain monoclonal antibody 江南大学 2024-11-22 CN claimed
CN-118851904-A Tetraphenyl ethylene tetracarboxylate, preparation method and application thereof in recognition of aluminum ions and/or iron ions 常州大学 2024-10-29 CN claimed
CN-118546075-A Isosteviol and steviol derivative containing hydroxamic acid groups as well as preparation method and application thereof 新乡医学院 2024-08-27 CN claimed
CN-118221674-A Pyrrolo [3,2-b ] pyridine Top/HDAC double-target inhibitor, preparation method, pharmaceutical composition and application thereof 南京市鸿舜医药科技有限公司 2024-06-21 CN claimed
CN-118184939-A High-performance polyurethane and preparation method and application thereof 中国科学院长春应用化学研究所 2024-06-14 CN claimed
CN-118047733-A Estrogen receptor positive breast cancer fluorescent probe, preparation method and application 大连理工大学 2024-05-17 CN claimed
US-11939304-B1 Ethyl 6-(5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)hexanoate as an antimicrobial compound King Faisal University (SA) 2024-03-26 US claimed
CN-102863374-A Synthetic methods and intermediates for stereoisomeric compounds useful for the treatment of gastrointestinal and central nervous system disorders ARYX THERAPEUTICS 2013-01-09 CN claimed
CN-101258151-B Process for the synthesis of stereoisomeric compounds useful in the treatment of gastrointestinal and central nervous system disorders and intermediates ARYX THERAPEUTICS INC 2012-10-10 CN claimed
CN-101717349-A Preparation method and applications of intermediate modifier of Sudan red I NANJING UNIVERSITY OF TECHNOLOGY 2010-06-02 CN claimed
CN-101258151-A Process for the synthesis of stereoisomeric compounds useful in the treatment of gastrointestinal and central nervous system disorders and intermediates ARYX THERAPEUTICS INC (US) 2008-09-03 CN claimed
US-7408075-B1 Synthesis of phosphocholine ester derivatives and conjugates thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-08-05 US claimed
US-20080175852-A1 SYNTHESIS OF PHOSPHOCHOLINE ESTER DERIVATIVES AND CONJUGATES THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2008-07-24 US claimed
EP-1919909-A2 SYNTHETIC METHODS AND INTERMEDIATES FOR STEREOISOMERIC COMPOUNDS USEFUL FOR THE TREATMENT OF GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS Aryx Therapeutics, Inc. (US) 2008-05-14 EP claimed
US-7326787-B2 Synthetic methods and intermediates for stereoisomeric compounds useful for the treatment of gastrointestinal and central nervous system disorders ARYX THERAPEUTICS, INC. (US) 2008-02-05 US claimed
US-20070078265-A1 Synthetic Methods and Intermediates for Stereoisomeric Compounds Useful for the Treatment of Gastrointestinal and Central Nervous System Disorders ARYX THERAPEUTICS (US) 2007-04-05 US claimed
WO-2007028073-A2 SYNTHETIC METHODS AND INTERMEDIATES FOR STEREOISOMERIC COMPOUNDS USEFUL FOR THE TREATMENT OF GASTROINTESTINAL AND CENTRAL NERVOUS SYSTEM DISORDERS ARYX THERAPEUTICS, INC. (US) 2007-03-08 WO claimed