SCHEMBL8517259

SCHEMBL8517259

CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCCCCO

nearest known ligand 0.98

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.80
PGR P06401 1/20 0.80
HDAC1 Q13547 4/20 0.77

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
SCHEMBL3868030 1.00 AR (0.80) ARPGRHDAC1
SCHEMBL1714908 0.99 AR (0.82) ARPGRHDAC1
SCHEMBL29453440 0.99 AR (0.82) ARPGRHDAC1
SCHEMBL2693558 0.96 AR (0.81) ARPGRHDAC1
SCHEMBL4020463 0.92 AR (0.77) ARPGRHDAC1
SCHEMBL30291848 0.92 AR (0.77) ARPGRHDAC1
SCHEMBL20003388 0.90 AR (0.78) ARPGRHDAC1
SCHEMBL3873391 0.90 AR (0.75) ARPGRHDAC1
SCHEMBL3871464 0.90 AR (0.75) ARPGRHDAC1
SCHEMBL20003480 0.90 AR (0.78) ARPGRHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854716-A4 ANDROGENIC DIRECTED COMPOSITIONS BIOPHYSICA FOUNDATION (US) 1999-04-07 EP disclosed
EP-0854716-A1 ANDROGENIC DIRECTED COMPOSITIONS BIOPHYSICA FOUNDATION (US) 1998-07-29 EP disclosed
WO-1997000071-A1 ANDROGENIC DIRECTED COMPOSITIONS BIOPHYSICA FOUNDATION (US) 1997-01-03 WO disclosed