SCHEMBL4115167

SCHEMBL4115167

C=C(/C=C\C)C(=O)N(C)CCC

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 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
SCHEMBL24502720 0.80 TSHR (0.34) EPHX2
SCHEMBL28176134 0.75 CASP1 (0.40)
SCHEMBL24859121 0.75 CASP1 (0.40)
SCHEMBL4097444 0.74
SCHEMBL375727 0.73 CA12 (0.34) EPHX2
SCHEMBL3219005 0.71 EPHX2 (0.35) EPHX2
SCHEMBL22961013 0.71 CA12 (0.33) EPHX2
SCHEMBL1567820 0.71 TSHR (0.35) EPHX2
Ammonia Solution, Strong SCHEMBL28079944 0.71 CA12 (0.33) EPHX2
SCHEMBL18402516 0.69 CA12 (0.32) EPHX2

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
WO-2012058671-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2012-05-03 WO disclosed