SCHEMBL16957673

SCHEMBL16957673

[CH2]C(CF)c1cc(F)ccc1C#N

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CYP11B2 P19099 9/20 0.36
▸ CYP11B1 P15538 8/20 0.36
▸ ALK Q9UM73 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ AR P10275 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.30

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
SCHEMBL16950409 0.85 TRPV4 (0.37) TRPV4MAOAMAOBCYP11B2CYP11B1
SCHEMBL16959300 0.83 MAOB (0.38) TRPV4MAOAMAOBCYP11B2CYP11B1
SCHEMBL16959596 0.83 IMPDH2 (0.33) TRPV4CYP11B2CYP11B1
SCHEMBL16955533 0.81 AR (0.37) MAOAMAOBCYP11B2CYP11B1FFAR1
SCHEMBL16962201 0.81 CYP2A6 (0.39) TRPV4MAOAMAOBAR
SCHEMBL16952493 0.79 CYP11B1 (0.41) TRPV4MAOAMAOBCYP11B2CYP11B1
SCHEMBL16958723 0.79 TRPV4 (0.40) TRPV4MAOAMAOBCYP11B2CYP11B1
SCHEMBL16959905 0.76 CYP11B1 (0.44) MAOAMAOBCYP11B2CYP11B1AR
SCHEMBL16951137 0.76 TRPV4 (0.46) TRPV4CYP11B2CYP11B1
SCHEMBL16961672 0.76 CES2 (0.41) —

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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