SCHEMBL7756777

SCHEMBL7756777

COc1ccc(-c2cc(CCC(=O)N(C)O)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.52
ALOX5 P09917 2/20 0.49
EP300 Q09472 2/20 0.46
PTGS2 P35354 1/20 0.44
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRM6 O15303 1/20 0.40
PKM P14618 1/20 0.39
BACE1 P56817 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN1 P18031 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL7761536 0.95 OPRD1 (0.48) OPRD1ALOX5EP300PTGS2KDM4E
SCHEMBL7756786 0.94 OPRD1 (0.47) OPRD1ALOX5EP300PTGS2
SCHEMBL678077 0.93 ALOX5 (0.56) OPRD1ALOX5EP300PTGS2KDM4E
SCHEMBL7760704 0.89 OPRD1 (0.49) OPRD1ALOX5EP300KDM4ERAB9A
SCHEMBL14195275 0.88 ALOX5 (0.51) OPRD1ALOX5EP300PTGS2
SCHEMBL7760695 0.86 OPRD1 (0.56) OPRD1EP300PTGS2KDM4EALDH1A1
SCHEMBL7902764 0.85 OPRD1 (0.54) OPRD1EP300PTGS2KDM4EALDH1A1
SCHEMBL7899189 0.84 OPRD1 (0.51) OPRD1EP300KDM4ERAB9AALDH1A1
SCHEMBL17833490 0.80 MAPK14 (0.42) OPRD1ALOX5EP300PTGS2KDM4E
SCHEMBL5599629 0.78 OPRD1 (0.53) OPRD1EP300KDM4ERAB9AALDH1A1

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 9 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
US-RE37078-E1 Thiophene compounds ADIR ET COMPAGNIE (FR) 2001-02-27 US claimed
EP-0728755-A1 Thiophene compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-08-28 EP claimed
JP-8253470-A None JP disclosed
EP-0728755-B1 Thiophene compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-04-11 EP disclosed
US-RE37078-E1 Thiophene compounds ADIR ET COMPAGNIE (FR) 2001-02-27 US disclosed
US-5705525-A ANTIINFLAMMATORY AGENTS AND TREATMENT OF RHEUMATIC DISEASES ADIR ET COMPAGNIE (FR) 1998-01-06 US disclosed
JP-H08253470-A NEW THIOPHENE COMPOUND, ITS PRODUCTION AND PHARMACEUTICAL COMPOSITION CONTAINING THE COMPOUND ADIR 1996-10-01 JP disclosed
EP-0728755-A1 Thiophene compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-08-28 EP disclosed