SCHEMBL16959631

SCHEMBL16959631

CCc1ccc(OC(F)(F)F)cc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.44
GPR3 P46089 2/20 0.41
POLB P06746 1/20 0.40
RUNX1 Q01196 1/20 0.40
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
LMNA P02545 1/20 0.39
ELANE P08246 1/20 0.39
EPHX2 P34913 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
KIF11 P52732 1/20 0.38
FFAR1 O14842 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38

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
SCHEMBL178278 0.93 FFAR4 (0.44) FFAR4GPR3POLBRUNX1PTGS1
SCHEMBL3872156 0.89 FFAR4 (0.45) FFAR4GPR3RUNX1EPHX2KIF11
SCHEMBL16958715 0.87 PTGS1 (0.41) FFAR4GPR3POLBRUNX1PTGS1
SCHEMBL21835675 0.83 FFAR4 (0.41) FFAR4GPR3RUNX1EPHX2KIF11
SCHEMBL12135071 0.81 FFAR4 (0.42) FFAR4GPR3POLBRUNX1KIF11
SCHEMBL178386 0.81 NR1H2 (0.50) GPR3POLBPTGS1PTGS2NR1H2
SCHEMBL16951952 0.81 CHRM5 (0.42) FFAR4GPR3POLBRUNX1LMNA
SCHEMBL22299305 0.80 HDAC3 (0.43) FFAR4GPR3PTGS1PTGS2HDAC3
SCHEMBL102182 0.79 FFAR4 (0.41) FFAR4GPR3RUNX1LMNAEPHX2
SCHEMBL16961968 0.79 TACR1 (0.46) FFAR4POLBRUNX1LMNAL3MBTL1

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed