SCHEMBL16952803

SCHEMBL16952803

[CH2]C(C)c1cc(C#N)ccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.42
▸ TRPV4 Q9HBA0 2/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.34
▸ AR P10275 4/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ FNTB P49356 2/20 0.32
▸ FNTA P49354 1/20 0.32
▸ PNMT P11086 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ HRH1 P35367 1/20 0.32

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
SCHEMBL16955918 0.81 AR (0.46) AR
SCHEMBL16953342 0.80 AR (0.34) TRPV4PTGDR2AR
SCHEMBL16952339 0.80 HRH4 (0.39) HRH4PDE2A
SCHEMBL16952112 0.80 IRAK4 (0.38) TRPV4AR
SCHEMBL16952866 0.79 HRH4 (0.38) HRH4TRPV4PTGDR2ARTRPA1
SCHEMBL16953435 0.78 TRPV4 (0.49) TRPV4PTGDR2AR
SCHEMBL16958881 0.78 PDE2A (0.42) HRH4SCN5ASCN9APDE2A
SCHEMBL16961214 0.78 PDE2A (0.38) HRH4PDE2ASIGMAR1
SCHEMBL16955971 0.78 GPR3 (0.37) TRPA1SCN9APDE2A
SCHEMBL16957725 0.76 CNR2 (0.35) PDE2A

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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