SCHEMBL27809355

SCHEMBL27809355

CNc1c(C(F)(F)F)ccc(C(=O)c2conc2C2CC2)c1S(C)(=O)=O

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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
SCHEMBL978385 0.81 DHODH (0.40)
SCHEMBL978102 0.73 ALDH1A1 (0.38)
SCHEMBL976634 0.71 L3MBTL1 (0.34)
SCHEMBL978629 0.67 L3MBTL1 (0.31)
SCHEMBL978630 0.67
SCHEMBL8492587 0.66 DHODH (0.39)
SCHEMBL978250 0.66 CYP11B1 (0.32)
SCHEMBL978252 0.66 CYP11B1 (0.32)
SCHEMBL8887759 0.64 DHODH (0.35)
SCHEMBL8489116 0.63 SMYD3 (0.39)

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
CN-101981016-A Effective herbicide 4- (3-aminobenzoyl) -5-cyclopropyl isoxazole BAYER CROPSCIENCE AG 2011-02-23 CN disclosed