SCHEMBL8985273

SCHEMBL8985273

COc1ccc(-c2sc(C(=O)O)cc2-c2ccc(SC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.67
L3MBTL1 Q9Y468 4/20 0.53
UBE2N P61088 1/20 0.53
MAPK14 Q16539 1/20 0.48
KDM4E B2RXH2 3/20 0.47
GLA P06280 1/20 0.47
EP300 Q09472 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
PTPN1 P18031 2/20 0.42
CYP1A2 P05177 2/20 0.42
ATM Q13315 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40

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
SCHEMBL8985541 0.91 MAPK14 (0.56) OPRD1L3MBTL1UBE2NMAPK14KDM4E
SCHEMBL7899259 0.91 OPRD1 (0.81) OPRD1L3MBTL1MAPK14KDM4EGLA
SCHEMBL8985533 0.90 OPRD1 (0.64) OPRD1L3MBTL1UBE2NMAPK14KDM4E
SCHEMBL8985238 0.86 OPRD1 (0.63) OPRD1L3MBTL1UBE2NKDM4EGLA
SCHEMBL8985306 0.86 OPRD1 (0.60) OPRD1L3MBTL1UBE2NMAPK14EP300
SCHEMBL8985230 0.86 OPRD1 (0.60) OPRD1L3MBTL1UBE2NEP300SMN1; SMN2
SCHEMBL8985362 0.84 OPRD1 (0.71) OPRD1L3MBTL1MAPK14KDM4EGLA
SCHEMBL8985288 0.84 MAPK14 (0.67) OPRD1MAPK14KDM4EPTGS1PTGS2
SCHEMBL8985259 0.84 MAPK14 (0.50) OPRD1L3MBTL1UBE2NMAPK14KDM4E
SCHEMBL8985510 0.84 MAPK14 (0.67) OPRD1MAPK14KDM4EPTGS1PTGS2

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