SCHEMBL2140146

SCHEMBL2140146

CCC(=O)c1ccc(CC(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.52
PTGS2 P35354 4/20 0.52
LMNA P02545 3/20 0.52
CYP2C9 P11712 2/20 0.52
AKR1C3 P42330 2/20 0.52
CXCR1 P25024 2/20 0.52
CXCR2 P25025 2/20 0.52
ALB P02768 1/20 0.52
ESR1 P03372 1/20 0.52
ALOX5 P09917 1/20 0.52
RARB P10826 1/20 0.52
ADRB3 P13945 1/20 0.52
NFKB1 P19838 1/20 0.52
HTR2A P28223 1/20 0.52
NR1I3 Q14994 1/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
CXCL8 P10145 1/20 0.52
TSHR P16473 1/20 0.52
AKR1C2 P52895 1/20 0.52
BLM P54132 1/20 0.52

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
Methoxymethane SCHEMBL11481514 0.94 PPARG (0.49) PTGS1PTGS2LMNACYP2C9AKR1C3
Ether SCHEMBL11548898 0.88 PPARG (0.45) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL30089557 0.86 PTGS1 (0.53) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL8083048 0.85 HSD17B3 (0.58) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL7716957 0.85 MAPT (0.47) CYP2C9SMN1; SMN2MAPTL3MBTL1PPARG
SCHEMBL9441164 0.84 PTGS1 (0.52) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9543302 0.82 FAAH (0.59) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL4818283 0.82 GSK3B (0.57) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL8959879 0.82 HSD17B3 (0.61) L3MBTL1
SCHEMBL21064585 0.81 PTGS1 (0.57) PTGS1PTGS2LMNACYP2C9AKR1C3

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

Claimed or disclosed in 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229165-A1 A SYNERGISTIC PERFUMING COMPOSITION Firmenich SA (CH) 2023-08-23 EP claimed
CN-112853384-B Method for synthesizing ibuprofen intermediate by taking halogen ions as electrocatalyst 北京工业大学 2022-07-12 CN claimed
WO-2022129351-A1 A SYNERGISTIC PERFUMING COMPOSITION FIRMENICH SA (CH) 2022-06-23 WO claimed
CN-112853384-A Method for synthesizing ibuprofen intermediate by taking halogen ions as electrocatalyst 北京工业大学 2021-05-28 CN claimed
CN-107793354-A A kind of method of intermolecular cyclization synthesis of quinoline derivatives 沅江华龙催化科技有限公司 2018-03-13 CN claimed
US-8426630-B2 Method and apparatus for continuous flow synthesis of ibuprofen FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-04-23 US claimed
US-20110054208-A1 METHOD AND APPARATUS FOR CONTINUOUS FLOW SYNTHESIS OF IBUPROFEN FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-03-03 US claimed
CN-101456808-A Method for preparing ibuprofen UNIV CHANGSHA SCIENCE (CN) 2009-06-17 CN claimed
US-5221766-A Oxidizing 2-/p-isobutylphenyl/propionaldehyde at low reaction temperature in presence of inorganic acid using hypohalogenite NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1993-06-22 US claimed
US-4843169-A REACTING A TRIVALENT IODINE COMPOUND WITH CARBONYL COMPOUND IN PRESENCE OF ORTHOCARBOXYLIC ESTER AND SULFURIC ACID MALLINCKRODT, INC. (US) 1989-06-27 US claimed
US-4730077-A TRIVALENT IODINE COMPOUND, AROMATIC KETONE, ORTHO ESTER, ANHYDROUS MALLINCKRODT, INC. (US) 1988-03-08 US claimed
US-4142054-A TRIVALENT THALLIUM SALT THE UPJOHN COMPANY (US) 1979-02-27 US claimed
CN-121913890-A Method and device for acylation of isobutyl benzene 中国石油化工股份有限公司 2026-04-24 CN disclosed
US-12018226-B2 Perfuming compositions FIRMENICH SA (CH) 2024-06-25 US disclosed
CN-117362165-A Preparation method of ibuprofen 山东新华制药股份有限公司 2024-01-09 CN disclosed
CN-112853384-B Method for synthesizing ibuprofen intermediate by taking halogen ions as electrocatalyst 北京工业大学 2022-07-12 CN disclosed
US-4198510-A INTERMEDIATES FOR AROMATIC-SUBSTITUTED CARBOXYLIC ACIDS SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1980-04-15 US disclosed
US-4143229-A PROCESS FOR THE PREPARATION OF PARA-SUBSTITUTED DERIVATIVES OF ALPHA-PHENYLPROPIONIC ACID ALCAR S.R.L. (IT) 1979-03-06 US disclosed
US-4142054-A TRIVALENT THALLIUM SALT THE UPJOHN COMPANY (US) 1979-02-27 US disclosed
US-4135051-A ENOL ETHER OF AN ARYL ALKYL KETONE WITH A THALLIJM SALT, REGENERATION OF THALLIUM SALT BY ADDING PERACID AND REACTIVE METAL COMPOUND THE UPJOHN COMPANY (US) 1979-01-16 US disclosed