SCHEMBL3632023

SCHEMBL3632023

Nc1ccsc1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP1A2 P05177 1/20 0.41
GABRA5 P31644 3/20 0.40
GABRB2 P47870 3/20 0.40
HSD17B10 Q99714 3/20 0.40
AKR1B1 P15121 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPK1 P28482 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36

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
SCHEMBL11655340 0.82 MEN1 (0.35) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL3881374 0.80 LTB4R (0.42) ALDH1A1HSD17B10KDM4EMAPTPOLB
SCHEMBL9925412 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP1A2HSD17B10
SCHEMBL1667468 0.77 LTB4R (0.50) ALDH1A1MEN1KMT2ACYP1A2GABRB2
SCHEMBL10424599 0.77 AKR1B1 (0.43) ALDH1A1MEN1KMT2ACYP1A2AKR1B1
SCHEMBL4416528 0.77 AKR1B1 (0.43) ALDH1A1MEN1KMT2ACYP1A2HSD17B10
SCHEMBL11345353 0.76 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP1A2GABRA5
SCHEMBL1295399 0.75 ALOX5 (0.51) ALDH1A1MEN1KMT2AKDM4EALOX5
SCHEMBL11186584 0.75 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP1A2HSD17B10
SCHEMBL7961734 0.75 ADAMTS5 (0.40) ALDH1A1MEN1KMT2ACYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102977074-A Novel synthetic process for pesticide and medicine intermediate ANHUI FENGLE AGROCHEMICAL CO 2013-03-20 CN claimed
CN-101314598-A Novel synthesis process for 5-chlorine-2-carboxylic methyl ester-3-methylamino sulfuryl thiophene UNIV ZHEJIANG TECHNOLOGY (CN) 2008-12-03 CN claimed
WO-2021030794-A1 THERAPEUTIC PEPTIDES COHBAR, INC. (US) 2021-02-18 WO disclosed
WO-2021030752-A1 THERAPEUTIC PEPTIDES COHBAR, INC. (US) 2021-02-18 WO disclosed
WO-2021030792-A1 THERAPEUTIC PEPTIDES COHBAR, INC. (US) 2021-02-18 WO disclosed
WO-2021030799-A1 THERAPEUTIC PEPTIDES COHBAR, INC. (US) 2021-02-18 WO disclosed
EP-2828306-B1 POLYMERIZABLE AMIDO-CONTAINING ORGANOSILICON COMPOUNDS, SILICON-CONTAINING POLYMERS AND BIOMEDICAL DEVICES THEREFROM MOMENTIVE PERFORMANCE MAT INC (US) 2017-01-18 EP disclosed
US-9453944-B2 Polymerizable amido-containing organosilicon compounds, silicon-containing polymers and biomedical devices therefrom MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2016-09-27 US disclosed
CN-105218560-A The synthesis technique of 7-bromo-4-diuril phenol also [3,2-D] pyrimidine SHANGHAI TITAN TECHNOLOGY CO LTD 2016-01-06 CN disclosed
CN-102741256-B Protein kinase is had to the bicyclic heteroaryl derivative of inhibit activities HANMI PHARM. CO.,LTD. (KR) 2015-12-02 CN disclosed
CN-103025728-B Trisubstituted thiophene compound of 2,3,5-and uses thereof NOVARTIS AG (CH) 2015-11-25 CN disclosed
EP-1227156-A2 A human protein kinase domain-containing protein Aeomica, Inc. (US) 2002-07-31 EP disclosed
CN-1360582-A Quinazoline derivs. ASTRAZENECA UK LTD (GB) 2002-07-24 CN disclosed
WO-2002055735-A2 COMPOSITIONS AND METHODS RELATING TO PROSTATE SPECIFIC GENES AND PROTEINS DIADEXUS INC (US) 2002-07-18 WO disclosed
WO-2002044171-A1 SUBSTITUTED DERIVATIVES OF AMINOFURAN-2-YL-ACETIC ACID AND AMINOTHIEN-2-YL-ACETIC ACID AND THE USE THEREOF FOR TREATING MIGRAINES AND PAIN Grünenthal GmbH (DE) 2002-06-06 WO disclosed
US-20020048763-A1 Human genome-derived single exon nucleic acid probes useful for gene expression analysis AMERSHAM PLC (GB) 2002-04-25 US disclosed
US-20020048800-A1 Myosin-like gene expressed in human heart and muscle GE HEALTHCARE LIMITED (GB) 2002-04-25 US disclosed
WO-2002026818-A2 HUMAN NEDD-1 AEOMICA, INT. (US) 2002-04-04 WO disclosed
WO-2002024750-A2 HUMAN KIDNEY TUMOR OVEREXPRESSED MEMBRANE PROTEIN 1 AEOMICA, INC. (US) 2002-03-28 WO disclosed
WO-2001092524-A2 MYOSIN-LIKE GENE EXPRESSED IN HUMAN HEART AND MUSCLE AEOMICA, INC. (US) 2001-12-06 WO disclosed