SCHEMBL16953122

SCHEMBL16953122

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.40
▸ HPGD P15428 1/20 0.37
▸ PDK2 Q15119 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ AR P10275 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ CTSS P25774 2/20 0.34
▸ KCNK3 O14649 1/20 0.34
▸ KCNK9 Q9NPC2 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 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 0.84 L3MBTL1 (0.41) L3MBTL1HPGDPDK2GRM5AR
SCHEMBL16955220 0.81 GABRA1 (0.37) L3MBTL1PDK2ARMAPTNPSR1
SCHEMBL16961170 0.81 L3MBTL1 (0.39) L3MBTL1HPGDPDK2GRM5AR
SCHEMBL18723280 0.80 L3MBTL1 (0.50) L3MBTL1HPGDPDK2GRM5AR
SCHEMBL16956771 0.80 ALDH1A1 (0.42) L3MBTL1ALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL16959087 0.79 AR (0.34) AR
SCHEMBL16957466 0.78 L3MBTL1 (0.41) L3MBTL1HPGDPDK2GRM5AR
SCHEMBL16953944 0.78 ALDH1A1 (0.39) L3MBTL1GRM5ALDH1A1TDP1CYP1A2
SCHEMBL16960670 0.78 ALDH1A1 (0.39) L3MBTL1HPGDALDH1A1TDP1MAPT
SCHEMBL16957154 0.78 ALDH1A1 (0.39) L3MBTL1ALDH1A1TDP1CYP1A2CYP2D6

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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