SCHEMBL9370925

SCHEMBL9370925

Cc1c(C(=O)O)sc(C(=O)O)c1O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 10/20 0.48
PKM P14618 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
BCAT2 O15382 2/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL2808132 0.84 GPR35 (0.52) GPR35PKMNPSR1RXFP1HPGD
Hydrochloric Acid SCHEMBL11597163 0.81 GPR35 (0.50) GPR35PKMNPSR1RXFP1HPGD
SCHEMBL731095 0.81 GPR35 (0.50) GPR35PKMNPSR1RXFP1HPGD
SCHEMBL10928844 0.79 ALDH1A1 (0.53) NPSR1HPGDALDH1A1LMNAKDM4E
SCHEMBL28361289 0.75 GPR35 (0.48) GPR35PKMNPSR1RXFP1HPGD
SCHEMBL10487795 0.73 ELANE (0.42) GPR35
SCHEMBL16311870 0.72 GPR35 (0.50) GPR35PKMNPSR1RXFP1HPGD
SCHEMBL1760864 0.71 GPR35 (0.55) GPR35PKMNPSR1RXFP1HPGD
SCHEMBL2727696 0.71 GPR35 (0.66) GPR35PKMNPSR1RXFP1HPGD
SCHEMBL15342922 0.70 GPR35 (0.67) GPR35PKMNPSR1RXFP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0368464-B1 Thiopene-2 carboxamide derivatives and their pharmaceutical use LILLY SA (ES) 1994-02-02 EP disclosed
US-5021449-A N-pyrrolidinyl-3 alkyloxythienyl-2-carboxamides; antiemetics, antidepressants, schizophrenia LILLY S.A. (ES) 1991-06-04 US disclosed
EP-0368464-A1 Thiopene-2 carboxamide derivatives and their pharmaceutical use LILLY S.A. (ES) 1990-05-16 EP disclosed
US-4914123-A Acyloxythiophene derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-04-03 US disclosed