SCHEMBL8985306

SCHEMBL8985306

CCC(=O)c1cc(-c2ccc(SC)cc2)c(-c2ccc(OC)cc2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.47
UBE2N P61088 1/20 0.47
EP300 Q09472 2/20 0.47
MAPK14 Q16539 3/20 0.40
ATM Q13315 1/20 0.40
GRM6 O15303 1/20 0.39
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL8985273 0.86 OPRD1 (0.67) OPRD1L3MBTL1UBE2NEP300MAPK14
SCHEMBL8985533 0.86 OPRD1 (0.64) OPRD1L3MBTL1UBE2NEP300MAPK14
SCHEMBL8985230 0.83 OPRD1 (0.60) OPRD1L3MBTL1UBE2NEP300ATM
SCHEMBL8985238 0.83 OPRD1 (0.63) OPRD1L3MBTL1UBE2NEP300ATM
SCHEMBL8985492 0.82 OPRD1 (0.58) OPRD1EP300ATMPTGS1PTGS2
SCHEMBL7899259 0.76 OPRD1 (0.81) OPRD1L3MBTL1EP300MAPK14ATM
SCHEMBL8985541 0.76 MAPK14 (0.56) OPRD1L3MBTL1UBE2NMAPK14NPC1
SCHEMBL9375676 0.76 OPRD1 (0.56) OPRD1L3MBTL1UBE2NEP300MAPK14
SCHEMBL8985455 0.73 SLC6A4 (0.48) OPRD1L3MBTL1UBE2NEP300ATM
SCHEMBL7623155 0.73 PTGS1 (0.67) OPRD1L3MBTL1UBE2NMAPK14NPC1

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