SCHEMBL9367169

SCHEMBL9367169

COc1c(C(=O)O)sc(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR35 Q9HC97 4/20 0.39
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CISD2 Q8N5K1 1/20 0.34
PTPN1 P18031 1/20 0.34
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL9371037 0.85 GPR35 (0.41) ALDH1A1L3MBTL1GPR35PKMNPSR1
SCHEMBL9368107 0.82 ALDH1A1 (0.46) ALDH1A1NPSR1TP53MAPTHPGD
SCHEMBL3055938 0.82 ALDH1A1 (0.33) ALDH1A1L3MBTL1NPSR1TP53MAPT
SCHEMBL1760858 0.80 GPR35 (0.49) ALDH1A1GPR35HPGDPTPN1HSD17B10
SCHEMBL2761037 0.80 CA1 (0.39) ALDH1A1MAPTHPGDTSHRKDM4E
SCHEMBL9365766 0.79 ALDH1A1 (0.31) ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL11597062 0.78 CA1 (0.38) ALDH1A1MAPTHPGDTSHRKDM4E
SCHEMBL9365753 0.77 RXFP1 (0.40) ALDH1A1L3MBTL1GPR35PKMNPSR1
SCHEMBL4062814 0.76 GRIA2 (0.36) ALDH1A1L3MBTL1GPR35PKMNPSR1
SCHEMBL16311870 0.75 GPR35 (0.50) ALDH1A1GPR35PKMNPSR1RXFP1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1025027-C Organic compounds and their use as pharmaceuticals LILLY SA (ES) 1994-06-15 CN disclosed
EP-0368464-B1 Thiopene-2 carboxamide derivatives and their pharmaceutical use LILLY SA (ES) 1994-02-02 EP disclosed
EP-0297697-B1 Thiophene-2-carboxamide derivatives and their pharmaceutical use LILLY SA (ES) 1993-12-29 EP disclosed
US-5021449-A N-pyrrolidinyl-3 alkyloxythienyl-2-carboxamides; antiemetics, antidepressants, schizophrenia LILLY S.A. (ES) 1991-06-04 US disclosed
EP-0249236-B1 N-1H-TETRAZOL-5-YL-(5-RING)-CARBOXAMIDE-DERIVATIVES, A PROCESS FOR THEIR MANUFACTURE, AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1991-04-24 EP disclosed
EP-0368464-A1 Thiopene-2 carboxamide derivatives and their pharmaceutical use LILLY S.A. (ES) 1990-05-16 EP disclosed
US-4904686-A 3-ALKOXYTHIOPHENE-2-CARBOXAMIDES; CENTRAL NERVOUS SYSTEM DISORDERS LILLY INDUSTRIES LIMITED (GB) 1990-02-27 US disclosed
US-4824958-A Process for the preparation of n-1H-tetrazol-5-yl-2-pyrrole carboxamides WARNER-LAMBERT COMPANY (US) 1989-04-25 US disclosed
CN-1030916-A Organic compound and as the application of medicine LILLY SA (ES) 1989-02-08 CN disclosed
EP-0297697-A1 Thiophene-2-carboxamide derivatives and their pharmaceutical use LILLY S.A. (ES) 1989-01-04 EP disclosed
US-4748183-A N-1H-tetrazol-5-yl-2-thiophene carboxamides, N-1H-tetrazol-5-yl-2-pyrrole carboxamides, N-1H-tetrazol-5-yl-2-furan carboxamides, and anti-allergic and anti-inflammatory use thereof WARNER-LAMBERT COMPANY (US) 1988-05-31 US disclosed
EP-0249236-A1 N-1H-Tetrazol-5-yl-(5-Ring)-carboxamide-derivatives, a process for their manufacture, and the use thereof WARNER-LAMBERT COMPANY (US) 1987-12-16 EP disclosed
US-4352819-A ANTIARRHYTHMIA AGENTS LAEVOSAN-GESELLSCHAFT MBH & CO. KG (AT) 1982-10-05 US disclosed