SCHEMBL5497091

SCHEMBL5497091

COc1cccc(OC)c1Oc1ccc(C#N)c(Cl)c1.COc1cccc(Oc2ccc(C#N)c(Cl)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.58
PGR P06401 2/20 0.58
SLC22A12 Q96S37 2/20 0.46
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
ESRRA P11474 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 1/20 0.41

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
SCHEMBL4168098 0.93 AR (0.65) ARPGRSLC22A12POLBGAA
SCHEMBL4174837 0.91 AR (0.58) ARPGRSLC22A12POLBGAA
SCHEMBL4181110 0.85 AR (0.64) ARPGRSLC22A12POLBGAA
SCHEMBL8543199 0.83 AR (0.62) ARPGRSLC22A12GAASMN1; SMN2
SCHEMBL4178023 0.81 AR (0.74) ARPGRSLC22A12POLBGAA
SCHEMBL20510909 0.81 AR (0.70) ARPGRPOLBGAAESRRA
SCHEMBL966608 0.80 AR (0.57) ARPGRSLC22A12POLBGAA
SCHEMBL756234 0.79 AR (0.62) ARPGRSLC22A12POLBGAA
SCHEMBL8566836 0.78 AR (0.43) ARPGRPOLBGAASMN1; SMN2
SCHEMBL7073821 0.76 AR (0.55) ARPGRSLC22A12GAASMN1; SMN2

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