SCHEMBL16957713

SCHEMBL16957713

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ CYP2A6 P11509 1/20 0.38
▸ HTR2C P28335 3/20 0.36
▸ HTR2B P41595 3/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ BCAT2 O15382 1/20 0.33
▸ BCAT1 P54687 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL16957233 0.86 L3MBTL1 (0.44) L3MBTL1CYP2A6CYP1A2CYP2C19GRM5
SCHEMBL16957716 0.81 L3MBTL1 (0.40) L3MBTL1MCHR1CYP2A6HTR2CHTR2B
SCHEMBL31193810 0.80 HTR7 (0.40) L3MBTL1MCHR1CYP2A6HTR2CHTR2B
SCHEMBL18375050 0.80 MAPT (0.44) L3MBTL1MCHR1HTR2CHTR2BMEN1
SCHEMBL16951262 0.80 L3MBTL1 (0.37) L3MBTL1MCHR1CYP2A6HTR2CHTR2B
SCHEMBL16951265 0.80 L3MBTL1 (0.37) L3MBTL1MCHR1CYP2A6HTR2CHTR2B
SCHEMBL16959835 0.78 L3MBTL1 (0.39) L3MBTL1MCHR1CYP2A6HTR2CHTR2B
SCHEMBL16955786 0.78 L3MBTL1 (0.38) L3MBTL1MCHR1CYP2A6HTR2CHTR2B
SCHEMBL16959832 0.78 CNR1 (0.39) L3MBTL1MCHR1CYP2A6HTR2CHTR2B
SCHEMBL16952410 0.78 CHRM2 (0.38) L3MBTL1MCHR1CYP2A6HTR2CHTR2B

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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