SCHEMBL3663525

SCHEMBL3663525

C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@@]43C)[C@@H]1CC[C@H]2CCOC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.60
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44

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
SCHEMBL3665495 1.00 CYP19A1 (0.60) CYP19A1PSEN1PSEN2APH1BNCSTN
SCHEMBL1651377 0.87 CYP19A1 (0.64) CYP19A1
SCHEMBL3663524 0.87 CYP19A1 (0.64) CYP19A1
SCHEMBL10920543 0.86 CYP19A1 (0.60) CYP19A1
SCHEMBL1331805 0.85 CYP19A1 (0.59) CYP19A1
SCHEMBL29288697 0.85 CYP19A1 (0.58) CYP19A1
SCHEMBL4298015 0.84 CYP19A1 (0.69) CYP19A1
SCHEMBL7596559 0.84 PSEN1 (0.63) CYP19A1PSEN1PSEN2APH1BNCSTN
SCHEMBL29524618 0.83 CYP19A1 (0.59) CYP19A1
SCHEMBL28278507 0.83 CYP19A1 (0.67) CYP19A1

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-2238149-A2 19-NOR-STEROID DERIVATIVES WITH A 15 ,16 -METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-13 EP claimed
WO-2009083272-A2 19-NOR-STEROID DERIVATIVES WITH A 15α,16α-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-09 WO claimed