SCHEMBL16953342

SCHEMBL16953342

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ ICMT O60725 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL16772773 0.87 AR (0.36) ARSLC22A12ICMTTRPV4PTGDR2
SCHEMBL16952112 0.87 IRAK4 (0.38) ARICMTTRPV4
SCHEMBL16955918 0.82 AR (0.46) ARICMT
SCHEMBL16952803 0.80 HRH4 (0.42) ARTRPV4PTGDR2
SCHEMBL16953435 0.79 TRPV4 (0.49) ARTRPV4PTGDR2GAASMN1; SMN2
SCHEMBL16951800 0.79 HTT (0.35) SMN1; SMN2
SCHEMBL10164859 0.78 SLC22A12 (0.43) ARSLC22A12TRPV4
SCHEMBL16956920 0.77 HTR2A (0.37) GAASMN1; SMN2
SCHEMBL16781415 0.77 AR (0.43) ARSLC22A12ICMTPTGDR2
SCHEMBL16955678 0.77 SLC22A12 (0.36) ARSLC22A12

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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