SCHEMBL16953248

SCHEMBL16953248

[CH2]C(CO)c1cc(C)ccc1C#N

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.36
▸ PGR P06401 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ PKM P14618 1/20 0.33
▸ MAOA P21397 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ MAOB P27338 2/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL16955533 0.83 AR (0.37) ARPGRFFAR1PKMMAOA
SCHEMBL16955967 0.81 IMPDH2 (0.33) ARPGRMEN1KMT2A
SCHEMBL16958667 0.81 MAOB (0.38) ARPGRMAOAALDH1A1GAA
SCHEMBL16950409 0.80 TRPV4 (0.37) ARPGRFFAR1MAOAMAOB
SCHEMBL16954155 0.80 VCAM1 (0.39) MAOAALDH1A1KDM4ECYP2A6MAOB
SCHEMBL16954555 0.80 NPC1 (0.41) ARPGRMAOAALDH1A1KDM4E
SCHEMBL16960129 0.79 AR (0.38) ARFFAR1PKMMAOAALDH1A1
SCHEMBL16957324 0.78 GLA (0.43) ARMAOAALDH1A1KDM4EHPGD
SCHEMBL16956419 0.77 AR (0.37) ARFFAR1PKMALDH1A1KDM4E
SCHEMBL16956714 0.76 AR (0.43) ARPGR

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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