SCHEMBL16957466

SCHEMBL16957466

C=Cc1cccc(OCC)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ HPGD P15428 2/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KCNK3 O14649 1/20 0.35
▸ KCNK9 Q9NPC2 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ AR P10275 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ IGF1R P08069 1/20 0.34

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
SCHEMBL16951265 0.88 L3MBTL1 (0.37) L3MBTL1HPGDGRM5ALDH1A1CYP1A2
SCHEMBL16955192 0.84 L3MBTL1 (0.41) L3MBTL1HPGDPDK2GRM5ALDH1A1
SCHEMBL18723280 0.82 L3MBTL1 (0.50) L3MBTL1HPGDPDK2GRM5ALDH1A1
SCHEMBL16952382 0.81 NFE2L2 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16953122 0.78 L3MBTL1 (0.40) L3MBTL1HPGDPDK2GRM5ALDH1A1
SCHEMBL16958235 0.78 L3MBTL1 (0.37) L3MBTL1HPGDPDK2GRM5ALDH1A1
SCHEMBL16951354 0.78 L3MBTL1 (0.42) L3MBTL1HPGDALDH1A1CYP1A2CYP2D6
SCHEMBL16957233 0.78 L3MBTL1 (0.44) L3MBTL1HPGDPDK2GRM5ALDH1A1
SCHEMBL1240363 0.78 ALDH1A1 (0.42) L3MBTL1HPGDALDH1A1CYP1A2MAPT
SCHEMBL16958983 0.77 ALDH1A1 (0.35) L3MBTL1ALDH1A1KCNK3KCNK9TDP1

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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