SCHEMBL8891005

SCHEMBL8891005

Cc1c(F)ccc(C(=O)c2cnoc2C2CC2)c1Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
DHODH Q02127 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
RIPK1 Q13546 3/20 0.34
PDE2A O00408 1/20 0.34
MAPK1 P28482 1/20 0.34
MAP2K1 Q02750 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
CRACR2A Q9BSW2 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL8901541 0.92 DHODH (0.34) PLA2G2ASMN1; SMN2PTGDR2DHODHPDE2A
SCHEMBL8892441 0.92 DHODH (0.34) SMN1; SMN2DHODHPDE2ANR1H4CRACR2A
SCHEMBL8892787 0.91 HPGD (0.36) PLA2G2ASMN1; SMN2PTGDR2DHODHPDE2A
SCHEMBL8891643 0.87 CCR5 (0.35) PLA2G2APTGDR2DHODHTAS1R3TAS1R1
SCHEMBL8890676 0.85 ALDH1A1 (0.35) PLA2G2ASMN1; SMN2PTGDR2TAS1R3TAS1R1
SCHEMBL8890836 0.85 TAS1R3 (0.33) PLA2G2APTGDR2TAS1R3TAS1R1TAS1R2
SCHEMBL8890301 0.85 TAS1R3 (0.33) PLA2G2ASMN1; SMN2PTGDR2DHODHTAS1R3
SCHEMBL8891039 0.84 TAS1R3 (0.34) PLA2G2APTGDR2DHODHTAS1R3TAS1R1
SCHEMBL8891638 0.84 ALOX15 (0.36) PLA2G2ASMN1; SMN2PTGDR2TAS1R3TAS1R1
SCHEMBL8893223 0.82 NAMPT (0.32) PTGDR2TAS1R3TAS1R1TAS1R2PDE2A

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