SCHEMBL8985277

SCHEMBL8985277

COc1ccc(-c2cc(N)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.56
PTGS2 P35354 4/20 0.50
APP P05067 2/20 0.47
BACE1 P56817 1/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ABL1 P00519 1/20 0.44
ABCB1 P08183 1/20 0.44
BCR P11274 1/20 0.44
PKM P14618 1/20 0.43
IKBKB O14920 1/20 0.43
EP300 Q09472 1/20 0.42

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
SCHEMBL10690054 0.80 OPRD1 (0.58) OPRD1PTGS2APPMAPTKDM4E
SCHEMBL11520829 0.80 ESR1 (0.59) OPRD1PTGS2APPMAPTALDH1A1
SCHEMBL10844385 0.79 OPRD1 (0.56) OPRD1PTGS2APPMAPTKDM4E
SCHEMBL10844270 0.79 OPRD1 (0.56) OPRD1PTGS2APPMAPTKDM4E
SCHEMBL10683946 0.76 OPRD1 (0.57) OPRD1PTGS2APPMAPTKDM4E
SCHEMBL11043188 0.76 OPRD1 (0.54) OPRD1PTGS2APPMAPTKDM4E
SCHEMBL10912450 0.76 OPRD1 (0.54) OPRD1PTGS2APPMAPTKDM4E
SCHEMBL10953432 0.76 OPRD1 (0.54) OPRD1PTGS2APPMAPTKDM4E
SCHEMBL8689168 0.76 OPRD1 (0.54) OPRD1PTGS2APPBACE1ABL1
SCHEMBL28707645 0.75 PTGS2 (0.49) PTGS2BACE1MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed