SCHEMBL16952914

SCHEMBL16952914

C=[C]c1cc(C(F)(F)F)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
ESRRA P11474 1/20 0.38
NQO2 P16083 1/20 0.38
HTR2A P28223 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR2 O15552 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
LRRK2 Q5S007 1/20 0.36
CACNA1D Q01668 1/20 0.36
ALPL P05186 1/20 0.36
KCNQ3 O43525 1/20 0.36

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
SCHEMBL2379685 0.82 ALDH1A1 (0.56) L3MBTL1RAB9AESRRAKDM4E
SCHEMBL16956508 0.81 PDE2A (0.38) L3MBTL1RAB9AHTR2APTGDR2
SCHEMBL16951618 0.81 CYP1A2 (0.50) L3MBTL1MAPTNPSR1MEN1MAPK1
SCHEMBL10451549 0.77 MEN1 (0.53) L3MBTL1RAB9AMAPTNPSR1MEN1
SCHEMBL16959106 0.76 GPR3 (0.39) ALPL
SCHEMBL16954046 0.76 NFE2L2 (0.42) HTR2AKDM4E
SCHEMBL16956025 0.76 L3MBTL1 (0.47) L3MBTL1RAB9AMAPTNPSR1MEN1
SCHEMBL16959267 0.76 PDE2A (0.38) MAPTMEN1KMT2A
SCHEMBL169247 0.75 GAA (0.55) L3MBTL1RAB9AMAPTNPSR1MEN1
SCHEMBL16952923 0.73 ACHE (0.56) L3MBTL1RAB9AMAPTNPSR1MEN1

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