SCHEMBL16957233

SCHEMBL16957233

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.44
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KCNK3 O14649 1/20 0.37
▸ KCNK9 Q9NPC2 1/20 0.37
▸ AR P10275 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35

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
SCHEMBL18723280 0.87 L3MBTL1 (0.50) L3MBTL1HPGDALDH1A1PDK2GRM5
SCHEMBL16957713 0.86 L3MBTL1 (0.39) L3MBTL1HPGDALDH1A1GRM5CYP1A2
SCHEMBL16957236 0.80 L3MBTL1 (0.45) L3MBTL1HPGDALDH1A1PDK2GRM5
SCHEMBL16952210 0.79 CA1 (0.41) L3MBTL1HPGDALDH1A1PDK2TDP1
SCHEMBL18374891 0.78 CYP1A2 (0.44) L3MBTL1HPGDALDH1A1PDK2GRM5
SCHEMBL16957463 0.78 L3MBTL1 (0.41) L3MBTL1HPGDALDH1A1PDK2GRM5
SCHEMBL16951438 0.78 L3MBTL1 (0.41) L3MBTL1HPGDALDH1A1PDK2GRM5
SCHEMBL16957466 0.78 L3MBTL1 (0.41) L3MBTL1HPGDALDH1A1PDK2GRM5
SCHEMBL27402197 0.78 MAPT (0.50) L3MBTL1TDP1MAPT
SCHEMBL16961170 0.78 L3MBTL1 (0.39) L3MBTL1HPGDALDH1A1PDK2GRM5

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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