SCHEMBL8985373

SCHEMBL8985373

COc1ccc(-c2sc(C(C)=O)cc2-c2ccc([S+](C)[O-])cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.61
MAPK14 Q16539 3/20 0.48
EP300 Q09472 2/20 0.45
BACE1 P56817 3/20 0.41
PTGS2 P35354 3/20 0.41
PTGS1 P23219 1/20 0.41
KDM4E B2RXH2 3/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL8985478 0.83 MAPK14 (0.48) OPRD1MAPK14EP300PTGS2PTGS1
SCHEMBL8985383 0.82 MAPK14 (0.70) OPRD1MAPK14EP300BACE1PTGS2
SCHEMBL8985453 0.81 OPRD1 (0.62) OPRD1MAPK14EP300PTGS2PTGS1
SCHEMBL8985533 0.80 OPRD1 (0.64) OPRD1MAPK14EP300BACE1PTGS2
SCHEMBL8985255 0.79 MAPK14 (0.45) OPRD1MAPK14PTGS2PTGS1
SCHEMBL8985252 0.78 MAPK14 (0.44) OPRD1MAPK14EP300PTGS2PTGS1
SCHEMBL7899259 0.77 OPRD1 (0.81) OPRD1MAPK14EP300BACE1PTGS2
SCHEMBL7619448 0.77 PTGS2 (0.68) OPRD1MAPK14PTGS2PTGS1KDM4E
SCHEMBL8985511 0.74 OPRD1 (0.74) OPRD1EP300BACE1PTGS2PTGS1
SCHEMBL8985468 0.74 OPRD1 (0.70) OPRD1MAPK14EP300BACE1PTGS2

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