SCHEMBL16959835

SCHEMBL16959835

[CH2]C(C)c1cccc(OCCC)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 6/20 0.39
▸ MCHR1 Q99705 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ HTR2C P28335 3/20 0.33
▸ HTR2B P41595 3/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL16951438 0.89 L3MBTL1 (0.41) L3MBTL1CYP1A2CYP2C19KMT2AHPGD
SCHEMBL16953954 0.80 L3MBTL1 (0.39) L3MBTL1MCHR1CYP2A6CYP1A2CYP2C19
SCHEMBL16961623 0.78 HTR1B (0.39) L3MBTL1MCHR1CYP2A6CYP1A2CYP2C19
SCHEMBL16957713 0.78 L3MBTL1 (0.39) L3MBTL1MCHR1CYP2A6CYP1A2CYP2C19
SCHEMBL16954091 0.77 L3MBTL1 (0.38) L3MBTL1MCHR1CYP2A6CYP1A2CYP2C19
SCHEMBL16957293 0.77 CHRM2 (0.39) L3MBTL1MCHR1CYP2A6CYP1A2CYP2C19
SCHEMBL16959171 0.77 MCHR1 (0.38) L3MBTL1MCHR1CYP2A6CYP1A2CYP2C19
SCHEMBL16953114 0.77 AR (0.33) HTR2BMAPTHTR2A
SCHEMBL16952719 0.77 MCHR1 (0.38) L3MBTL1MCHR1CYP2A6CYP1A2CYP2C19
SCHEMBL16959376 0.76 GABRA1 (0.39) L3MBTL1HTR2CHTR2BMAPTNPSR1

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
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