SCHEMBL5501402

SCHEMBL5501402

CCC(C)c1ccccc1Oc1ccc(C#N)c(Cl)c1.COc1cc(C)ccc1Oc1ccc(C#N)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.53
SLC22A12 Q96S37 4/20 0.44
ESRRA P11474 1/20 0.44
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
PGR P06401 1/20 0.40

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
SCHEMBL4188133 0.89 AR (0.62) ARSLC22A12HTR2ASLC6A4KCNH2
SCHEMBL4171619 0.84 AR (0.67) ARSLC22A12ESRRAMAPTHPGD
SCHEMBL26193516 0.81 AR (0.55) ARHPGDHTR2ASLC6A4KCNH2
SCHEMBL4181860 0.79 AR (0.67) ARSLC22A12ESRRAPGR
SCHEMBL4179840 0.79 AR (0.69) ARSLC22A12ESRRAMAPTRAB9A
SCHEMBL4178023 0.78 AR (0.74) ARSLC22A12ESRRAL3MBTL1PGR
SCHEMBL4188116 0.77 AR (0.68) ARSLC22A12HTR2ASLC6A4KCNH2
SCHEMBL4171318 0.75 AR (0.58) ARSLC22A12HTR2ASLC6A4KCNH2
SCHEMBL4178475 0.75 AR (0.68) ARSLC22A12L3MBTL1HTR2ASLC6A4
SCHEMBL4182051 0.74 AR (0.59) ARSLC22A12ESRRAHTR2ASLC6A4

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-1781280-A2 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2007-05-09 EP claimed
WO-2006018723-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2006-02-23 WO claimed