SCHEMBL16954856

SCHEMBL16954856

[CH2]C(C=C)c1cc(OCC)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.42
▸ FFAR1 O14842 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ CACNA1C Q13936 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SYK P43405 2/20 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
SCHEMBL16951391 0.83 NQO1 (0.45) NQO1FFAR1FFAR4NPC1MEN1
SCHEMBL16952131 0.83 CHRM2 (0.40) MEN1KMT2ATSHRTP53CYP3A4
SCHEMBL16953578 0.81 NQO1 (0.43) NQO1NPC1MEN1KMT2AAPOBEC3G
SCHEMBL16957891 0.80 NQO1 (0.42) NQO1NPC1MEN1KMT2AAPOBEC3G
SCHEMBL16959111 0.80 NQO1 (0.42) NQO1NPC1MEN1KMT2AAPOBEC3G
SCHEMBL16958798 0.80 NQO1 (0.42) NQO1FFAR1FFAR4NPC1MEN1
SCHEMBL16961251 0.80 NQO1 (0.42) NQO1FFAR1FFAR4NPC1MEN1
SCHEMBL16961720 0.80 NQO1 (0.42) NQO1NPC1MEN1KMT2AAPOBEC3G
SCHEMBL16956422 0.80 NQO1 (0.42) NQO1NPC1MEN1KMT2AAPOBEC3G
SCHEMBL17658890 0.79 NQO1 (0.48) NQO1FFAR1FFAR4NPC1MEN1

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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