SCHEMBL3413729

SCHEMBL3413729

CCCC(=O)c1ccc(OCCN(CC(F)(F)F)c2ccc(C#N)c(C(F)(F)F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.46
PGR P06401 1/20 0.46
THRA P10827 4/20 0.39
THRB P10828 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3416676 0.89 AR (0.49) ARPGRALDH1A1MAPTL3MBTL1
SCHEMBL3415498 0.88 AR (0.48) ARPGRKDM4EMEN1ALDH1A1
SCHEMBL3412694 0.87 AR (0.48) ARPGRMAPT
SCHEMBL3417065 0.87 AR (0.47) ARPGR
SCHEMBL3419681 0.87 AR (0.47) ARPGR
SCHEMBL3417939 0.83 AR (0.46) ARPGRMEN1KMT2A
SCHEMBL3418810 0.83 AR (0.54) ARPGR
SCHEMBL3413754 0.83 AR (0.48) ARPGR
SCHEMBL3418855 0.83 AR (0.45) ARPGR
SCHEMBL3419404 0.82 PLA2G7 (0.49) ARPGRALDH1A1

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
US-7834063-B2 4-[(Cyclopropylmethyl)(2-{[4-(1,1-dimethylethyl)phenyl]oxy}ethyl)amino]-2-(trifluoromethyl)benzonitrile; modulators of androgen, glucocorticoid, mineralocorticoid, and progesterone receptors; osteoporosis, muscle wasting,endometriosis, cardiovascular disease; breast, uterine cancer, prostatic hyperplasia GLAXOSMITHKLINE LLC (US) 2010-11-16 US claimed