SCHEMBL16962099

SCHEMBL16962099

[CH2]C(C)c1cc(F)ccc1OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.40
▸ HTR2A P28223 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ MRGPRX1 Q96LB2 2/20 0.36
▸ KDM1A O60341 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 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
SCHEMBL16952407 0.88 HTR2A (0.44) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL11890399 0.85 L3MBTL1 (0.43) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL16960641 0.83 L3MBTL1 (0.39) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL16952990 0.83 L3MBTL1 (0.39) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL16952708 0.81 NFE2L2 (0.41) CYP2D6HTR2ASLC6A4KCNH2PTGS1
SCHEMBL16961984 0.81 L3MBTL1 (0.38) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL16959139 0.80 KCNH2 (0.38) L3MBTL1HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL16956296 0.80 MAPT (0.44) L3MBTL1TDP1ALDH1A1MAPK1MAPT
SCHEMBL16951644 0.79 GAA (0.50) L3MBTL1CYP1A2CYP2D6TDP1HTR2A
SCHEMBL16961368 0.79 TSHR (0.47) L3MBTL1TDP1ALDH1A1MAPK1MAPT

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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