SCHEMBL8892828

SCHEMBL8892828

C[S+]([O-])c1ccccc1Cc1cc(F)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.32
PTGDR2 Q9Y5Y4 4/20 0.32
PDE2A O00408 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
EPHX2 P34913 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL8899416 0.91 DHODH (0.32) DHODHPTGDR2PDE2ATAS1R3TAS1R1
SCHEMBL8890261 0.90 DHODH (0.33) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8891163 0.89 PDE2A (0.33) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8890011 0.88 PDE2A (0.31) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8888828 0.87 KDM4E (0.35) DHODHPTGDR2PDE2ATAS1R3TAS1R1
SCHEMBL9114961 0.85 DHODH (0.37) DHODHPDE2AEPHX2
SCHEMBL8891568 0.85 HPGD (0.36) DHODHP2RX7
SCHEMBL8907895 0.84 HPGD (0.36) DHODHPTGDR2
SCHEMBL8891280 0.83 CYP19A1 (0.33) DHODHPDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL8891242 0.83 HCRTR2 (0.35) DHODHPTGDR2TAS1R3TAS1R1TAS1R2

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