SCHEMBL8079488

SCHEMBL8079488

C[C@]12CCCN[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C#N)CC[C@@H]12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.37
SRD5A1 P18405 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL8079491 1.00 SRD5A2 (0.37) SRD5A2SRD5A1CYP19A1
SCHEMBL15121547 0.79 SRD5A1 (0.38) SRD5A2SRD5A1CYP19A1
SCHEMBL3869935 0.79 SRD5A1 (0.38) SRD5A2SRD5A1CYP19A1
SCHEMBL3869928 0.79 SRD5A1 (0.38) SRD5A2SRD5A1CYP19A1
SCHEMBL8544903 0.77 GPBAR1 (0.54) SRD5A2SRD5A1
SCHEMBL8540006 0.77 GPBAR1 (0.54) SRD5A2SRD5A1
SCHEMBL22926300 0.76 SRD5A2 (0.39) SRD5A2CYP19A1
SCHEMBL518237 0.75 SRD5A2 (0.46) SRD5A2SRD5A1
SCHEMBL518238 0.75 SRD5A2 (0.46) SRD5A2SRD5A1
SCHEMBL536894 0.74 CDK5 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0902790-B1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN SPA (IT) 2000-08-16 EP disclosed
EP-0902790-A1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN S.p.A. (IT) 1999-03-24 EP disclosed
WO-1997040062-A1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN S.P.A. (IT) 1997-10-30 WO disclosed