SCHEMBL4047593

SCHEMBL4047593

NC(=S)C(Cc1ccc(OCc2ccccc2)cc1)OC(N)=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.60
PPARG P37231 3/20 0.60
PPARD Q03181 1/20 0.54
PARP10 Q53GL7 1/20 0.54
LTA4H P09960 3/20 0.53
LAP3 P28838 1/20 0.53
FFAR1 O14842 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
MAOB P27338 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
ALOX5 P09917 1/20 0.47

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
SCHEMBL4047589 1.00 PPARA (0.60) PPARAPPARGPPARDPARP10LTA4H
SCHEMBL28337607 0.79 PARP10 (0.54) PPARAPPARGPPARDPARP10LTA4H
SCHEMBL28337605 0.79 PARP10 (0.54) PPARAPPARGPPARDPARP10LTA4H
SCHEMBL28303037 0.78 PARP10 (0.52) PPARAPPARGPARP10LTA4HLAP3
SCHEMBL3787413 0.78 PPARG (0.56) PPARAPPARGPARP10LTA4HLAP3
SCHEMBL3787409 0.78 PPARG (0.56) PPARAPPARGPARP10LTA4HLAP3
SCHEMBL288435 0.78 PPARA (0.74) PPARAPPARGPPARDLTA4HLAP3
SCHEMBL8391536 0.76 LTA4H (0.63) PPARAPPARGPARP10LTA4HLAP3
SCHEMBL8391534 0.76 LTA4H (0.63) PPARAPPARGPARP10LTA4HLAP3
SCHEMBL5309440 0.76 PPARG (0.71) PPARAPPARGPPARDLTA4HFFAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed