SCHEMBL8891580

SCHEMBL8891580

Cc1c(S(C)(=O)=O)ccc(C(=O)c2cnoc2C2CC2)c1Cc1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
TBXA2R P21731 1/20 0.34
CNR2 P34972 4/20 0.33
CNR1 P21554 3/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.33
DHODH Q02127 2/20 0.32
VNN1 O95497 1/20 0.32
DPP4 P27487 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
RUVBL1 Q9Y265 1/20 0.31
PDE2A O00408 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL8893301 0.90 TBXA2R (0.37) PTGS1PTGS2TBXA2RPTGDR2PDE2A
SCHEMBL8890836 0.90 TAS1R3 (0.33) PTGS2PTGDR2PDE2ALMNA
SCHEMBL8901541 0.88 DHODH (0.34) CNR2CNR1PTGDR2DHODHDPP4
SCHEMBL8890084 0.85 RUVBL1 (0.32) CNR2CNR1DHODHDPP4RUVBL1
SCHEMBL8890688 0.84 LMNA (0.34) CNR2CNR1PTGDR2DHODHDPP4
SCHEMBL8890301 0.83 TAS1R3 (0.33) PTGDR2DHODHPDE2A
SCHEMBL9069510 0.83 DHODH (0.36) DHODHPDE2ALMNA
SCHEMBL9116542 0.82 PRKDC (0.38) DHODHPDE2ALMNA
SCHEMBL8489364 0.82 CACNA1B (0.40) PTGS2DHODHPDE2A
SCHEMBL8491452 0.82 DHODH (0.37) PTGS2DHODHPDE2A

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
WO-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed