SCHEMBL1380657

SCHEMBL1380657

CCC(C(=O)OCC(C)C)N(CC(F)(F)F)c1ccc(C#N)c(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.50
PGR P06401 4/20 0.50
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
NR1H3 Q13133 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
XDH P47989 5/20 0.35
SLC22A12 Q96S37 1/20 0.35
CYP3A4 P08684 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
ABCC4 O15439 1/20 0.32
ABCB11 O95342 1/20 0.32
CHRM1 P11229 1/20 0.32
PDE4A P27815 1/20 0.32
BLVRB P30043 1/20 0.32
TARBP2 Q15633 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ABCG2 Q9UNQ0 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
SCHEMBL1376534 0.91 AR (0.63) ARPGR
SCHEMBL1380583 0.91 PGR (0.48) ARPGR
SCHEMBL1380655 0.86 AR (0.48) ARPGRGAACYP3A4AAK1
SCHEMBL1379968 0.85 AR (0.52) ARPGR
SCHEMBL1380297 0.84 AR (0.51) ARPGR
SCHEMBL1377607 0.82 AR (0.49) ARPGRGAANR1H3CYP3A4
SCHEMBL1379962 0.82 PGR (0.37) ARPGRXDHSLC22A12ABCC4
SCHEMBL1377719 0.81 AR (0.48) ARPGRGAACYP3A4
SCHEMBL1378445 0.80 AR (0.44) ARPGRGAAMAPK1NR1H3
SCHEMBL1376314 0.78 AR (0.63) ARPGRXDHSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4805909-B2 2011-11-02 JP claimed
EP-1725522-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-29 EP claimed
WO-2005085185-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO claimed
EP-1725522-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-29 EP disclosed
WO-2005085185-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO disclosed