SCHEMBL7756786

SCHEMBL7756786

COc1ccc(-c2sc(CCC(=O)N(C)O)cc2-c2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.47
MAPK14 Q16539 5/20 0.46
ALOX5 P09917 2/20 0.44
EP300 Q09472 2/20 0.42
PTGS2 P35354 5/20 0.41
PTGS1 P23219 1/20 0.40
POLB P06746 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL7756777 0.94 OPRD1 (0.52) OPRD1ALOX5EP300PTGS2
SCHEMBL14195275 0.94 ALOX5 (0.51) OPRD1MAPK14ALOX5EP300PTGS2
SCHEMBL7761536 0.90 OPRD1 (0.48) OPRD1ALOX5EP300PTGS2
SCHEMBL678077 0.87 ALOX5 (0.56) OPRD1MAPK14ALOX5EP300PTGS2
SCHEMBL7760704 0.84 OPRD1 (0.49) OPRD1ALOX5EP300
SCHEMBL7760695 0.81 OPRD1 (0.56) OPRD1EP300PTGS2POLB
SCHEMBL7902764 0.80 OPRD1 (0.54) OPRD1MAPK14EP300PTGS2
SCHEMBL7899189 0.79 OPRD1 (0.51) OPRD1MAPK14EP300
Hydrochloric Acid SCHEMBL8985503 0.79 EP300 (0.44) OPRD1MAPK14EP300PTGS2PTGS1
SCHEMBL17833490 0.75 MAPK14 (0.42) OPRD1MAPK14ALOX5EP300PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728755-B1 Thiophene compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-04-11 EP claimed
EP-0728755-A1 Thiophene compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-08-28 EP claimed