SCHEMBL4602336

SCHEMBL4602336

COCCOCOc1cncc(CCCOc2ccc(C#N)c(C(F)(F)F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.44
PGR P06401 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 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
SCHEMBL4604870 0.87 AR (0.41) ARPGRCYP11B1CYP11B2
SCHEMBL13779690 0.80 AR (0.43) ARPGRCYP11B1CYP11B2
SCHEMBL4603841 0.80 AR (0.45) ARPGR
SCHEMBL4194003 0.79 AR (0.42) ARPGRCYP11B1CYP11B2
SCHEMBL4199472 0.78 AR (0.41) ARPGR
SCHEMBL14619067 0.78 AR (0.41) ARPGRCYP11B1CYP11B2
SCHEMBL4604132 0.77 AR (0.44) ARPGR
SCHEMBL4601201 0.74 AR (0.46) ARPGR
SCHEMBL4196449 0.73 AR (0.59) ARPGR
SCHEMBL4199094 0.71 AR (0.57) ARPGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915338-A2 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2008-04-30 EP disclosed
WO-2007017754-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2007-02-15 WO disclosed