SCHEMBL16956583

SCHEMBL16956583

C=Cc1cc(C#N)ccc1OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.52
▸ HPGD P15428 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ PRNP P04156 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ BRCA1 P38398 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ PDE4A P27815 2/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ CCR5 P51681 1/20 0.38

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
SCHEMBL16958687 0.84 TRPV4 (0.49) TRPV4HPGDMEN1KMT2AALDH1A1
SCHEMBL30902420 0.84 TRPV4 (0.52) TRPV4HPGDMEN1KMT2AALDH1A1
SCHEMBL16951588 0.81 AR (0.47) HPGDMEN1KMT2AALDH1A1USP2
SCHEMBL30902406 0.80 TRPV4 (0.46) TRPV4HPGDMEN1KMT2AALDH1A1
SCHEMBL1402437 0.79 TRPV4 (0.61) TRPV4HPGDMEN1KMT2AALDH1A1
SCHEMBL19511614 0.79 MAOB (0.54) CCR5GABRG2GABRB3GABRA5GABRA3
SCHEMBL16954818 0.79 ALK (0.39) TRPV4ALDH1A1MAPTSMN1; SMN2
SCHEMBL16959915 0.78 TRPV4 (0.47) TRPV4HPGDMEN1KMT2AALDH1A1
SCHEMBL16952167 0.78 TRPV4 (0.53) TRPV4HPGDMEN1KMT2AALDH1A1
SCHEMBL16959161 0.76 CYP2A6 (0.44) TRPV4MEN1KMT2AALDH1A1CYP2A6

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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