SCHEMBL3384063

SCHEMBL3384063

N#Cc1cc2c(c3c(C#N)cc(O)cc13)OCc1cc(O)ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.39
ESR2 Q92731 12/20 0.39
ESRRA P11474 7/20 0.37
ESRRB O95718 6/20 0.37
AR P10275 1/20 0.36
CHEK1 O14757 1/20 0.31
WEE1 P30291 1/20 0.31

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
SCHEMBL29384472 1.00 ESR1 (0.39) ESR1ESR2ESRRAESRRBAR
SCHEMBL3840410 0.86 ESR1 (0.41) ESR1ESR2ESRRAESRRBAR
SCHEMBL4455896 0.81 ESR1 (0.34) ESR1ESR2ESRRAESRRBAR
SCHEMBL4450109 0.80 ESR1 (0.43) ESR1ESR2ESRRAESRRBAR
SCHEMBL3190668 0.74 ESRRB (0.44) ESR1ESR2ESRRAESRRBAR
SCHEMBL14105587 0.73 ESRRB (0.37) ESR1ESR2ESRRAESRRB
SCHEMBL4454413 0.72 ESR1 (0.48) ESR1ESR2ESRRAESRRBAR
SCHEMBL3201595 0.69 ESRRB (0.49) ESR1ESR2ESRRAESRRBCHEK1
SCHEMBL4448363 0.69 ESR1 (0.37) ESR1ESR2ESRRAESRRB
SCHEMBL3923874 0.69 ESR1 (0.40) ESR1ESR2ESRRAESRRB

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
US-20100035855-A1 Method for treating or preventing a cardiovascular disease or condition utilizing estrogen receptor modulators based on APOE allelic profile of a mammalian subject SEARETE LLC, A LIMITED LIABILITY CORPORATION OF THE STATE OF DELAWARE 2010-02-11 US claimed
US-20100092463-A1 Method for treating or preventing osteoporosis by reducing follicle stimulating hormone to cyclic physiological levels in a mammalian subject SEARETE LLC, A LIMITED LIABILITY CORPORATION OF THE STATE OF DELAWARE 2010-04-15 US disclosed
US-20100061976-A1 Method for treating or preventing osteoporosis by reducing follicle stimulating hormone to cyclic physiological levels in a mammalian subject SEARETE LLC, A LIMITED LIABILITY CORPORATION OF THE STATE OF DELAWARE 2010-03-11 US disclosed
US-20100035855-A1 Method for treating or preventing a cardiovascular disease or condition utilizing estrogen receptor modulators based on APOE allelic profile of a mammalian subject SEARETE LLC, A LIMITED LIABILITY CORPORATION OF THE STATE OF DELAWARE 2010-02-11 US disclosed
US-20100022497-A1 Method for treating or preventing a cardiovascular disease or condition utilizing estrogen receptor modulators based on APOE allelic profile of a mammalian subject SEARETE LLC, A LIMITED LIABILITY CORPORATION OF THE STATE OF DELAWARE 2010-01-28 US disclosed