SCHEMBL8985276

SCHEMBL8985276

CNC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.66
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
EP300 Q09472 1/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 3/20 0.53
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPK14 Q16539 7/20 0.52
RAB9A P51151 1/20 0.49
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PLK1 P53350 2/20 0.44
GSK3B P49841 1/20 0.43
POLB P06746 1/20 0.42
FOXM1 Q08050 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
SCHEMBL8985511 0.94 OPRD1 (0.74) OPRD1PTGS1PTGS2EP300KDM4E
SCHEMBL8985191 0.91 MAPK14 (0.60) OPRD1PTGS1PTGS2KDM4EHPGD
SCHEMBL8985362 0.86 OPRD1 (0.71) OPRD1PTGS1PTGS2EP300KDM4E
SCHEMBL8985383 0.86 MAPK14 (0.70) OPRD1PTGS1PTGS2EP300KDM4E
SCHEMBL8985238 0.85 OPRD1 (0.63) OPRD1PTGS1PTGS2EP300KDM4E
SCHEMBL8985206 0.85 MAPK14 (0.54) OPRD1PTGS1PTGS2KDM4EHPGD
SCHEMBL8985361 0.84 OPRD1 (0.62) OPRD1PTGS1PTGS2EP300KDM4E
SCHEMBL8985326 0.82 MAPK14 (0.52) OPRD1PTGS1PTGS2KDM4EHPGD
SCHEMBL8985425 0.82 MAPK14 (0.52) OPRD1PTGS1PTGS2KDM4EHPGD
SCHEMBL8985484 0.82 OPRD1 (0.62) OPRD1PTGS1PTGS2EP300HPGD

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
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