SCHEMBL8985361

SCHEMBL8985361

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.62
PTGS2 P35354 9/20 0.54
PTGS1 P23219 4/20 0.52
EP300 Q09472 1/20 0.51
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MC4R P32245 1/20 0.45
USP28 Q96RU2 1/20 0.45
NTSR1 P30989 1/20 0.45
MT-CO1 P00395 1/20 0.44
MT-CO2 P00403 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL8985337 0.92 PTGS2 (0.52) OPRD1PTGS2PTGS1KDM4EHPGD
SCHEMBL8985511 0.90 OPRD1 (0.74) OPRD1PTGS2PTGS1EP300KDM4E
SCHEMBL8985453 0.87 OPRD1 (0.62) OPRD1PTGS2PTGS1EP300KDM4E
SCHEMBL8985386 0.86 PTGS2 (0.63) PTGS2PTGS1KDM4EHPGDMT-CO1
SCHEMBL8985220 0.86 PTGS2 (0.49) OPRD1PTGS2PTGS1KDM4EHPGD
SCHEMBL8985276 0.84 OPRD1 (0.66) OPRD1PTGS2PTGS1EP300KDM4E
SCHEMBL8985492 0.84 OPRD1 (0.58) OPRD1PTGS2PTGS1EP300KDM4E
SCHEMBL8985446 0.84 OPRD1 (0.58) OPRD1PTGS2PTGS1EP300KDM4E
SCHEMBL8985238 0.82 OPRD1 (0.63) OPRD1PTGS2PTGS1EP300KDM4E
SCHEMBL7617599 0.77 PTGS2 (0.64) OPRD1PTGS2PTGS1KDM4EHPGD

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