SCHEMBL8901541

SCHEMBL8901541

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.34
PDE2A O00408 1/20 0.34
CNR2 P34972 4/20 0.34
CNR1 P21554 3/20 0.33
DPP4 P27487 2/20 0.33
CRACR2A Q9BSW2 1/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 2/20 0.33
RUVBL1 Q9Y265 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLA2G2A P14555 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HDAC4 P56524 1/20 0.32

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
SCHEMBL8892441 0.94 DHODH (0.34) DHODHPDE2ACRACR2ALMNARUVBL1
SCHEMBL8892787 0.93 HPGD (0.36) DHODHPDE2ACRACR2ALMNATP53
SCHEMBL8891005 0.92 PLA2G2A (0.36) DHODHPDE2ACRACR2ASMN1; SMN2PLA2G2A
SCHEMBL8891580 0.88 PTGS1 (0.35) DHODHPDE2ACNR2CNR1DPP4
SCHEMBL8890688 0.88 LMNA (0.34) DHODHPDE2ACNR2CNR1DPP4
SCHEMBL8890084 0.86 RUVBL1 (0.32) DHODHPDE2ACNR2CNR1DPP4
SCHEMBL8892550 0.80 ALDH1A1 (0.34) DHODHPDE2ALMNAALDH1A1HPGD
SCHEMBL8893301 0.80 TBXA2R (0.37) PDE2AALDH1A1HPGDPTGDR2KDM4E
SCHEMBL8891643 0.79 CCR5 (0.35) DHODHPDE2APLA2G2APTGDR2
SCHEMBL8891456 0.78 ALDH1A1 (0.35) PDE2AALDH1A1HPGDPTGDR2KDM4E

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