SCHEMBL9110352

SCHEMBL9110352

CC(=O)C(NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(C(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 13/20 0.71
SRD5A1 P18405 5/20 0.71

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
SCHEMBL9111050 0.91 SRD5A2 (0.69) SRD5A2SRD5A1
SCHEMBL9237235 0.85 SRD5A2 (0.71) SRD5A2SRD5A1
SCHEMBL9109854 0.85 SRD5A2 (0.71) SRD5A2SRD5A1
SCHEMBL8630348 0.85 SRD5A2 (0.70) SRD5A2SRD5A1
SCHEMBL8915261 0.85 SRD5A2 (0.70) SRD5A2SRD5A1
SCHEMBL9112890 0.85 SRD5A2 (0.68) SRD5A2SRD5A1
SCHEMBL9111201 0.84 SRD5A2 (0.70) SRD5A2SRD5A1
SCHEMBL9114229 0.84 SRD5A2 (0.86) SRD5A2SRD5A1
Epristeride SCHEMBL23833504 0.83 SRD5A2 (1.00) SRD5A2SRD5A1
Epristeride SCHEMBL5444493 0.83 SRD5A2 (1.00) SRD5A2SRD5A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0681587-A1 SIDE CHAIN FLUORO SUBSTITUTED 3-CARBOXYSTEROIDS PHARMACIA & UPJOHN S.p.A. (IT) 1995-11-15 EP claimed
WO-1995014709-A1 SIDE CHAIN FLUORO SUBSTITUTED 3-CARBOXYSTEROIDS PHARMACIA S.P.A. (IT) 1995-06-01 WO claimed
EP-0681587-A1 SIDE CHAIN FLUORO SUBSTITUTED 3-CARBOXYSTEROIDS PHARMACIA & UPJOHN S.p.A. (IT) 1995-11-15 EP disclosed
WO-1995014709-A1 SIDE CHAIN FLUORO SUBSTITUTED 3-CARBOXYSTEROIDS PHARMACIA S.P.A. (IT) 1995-06-01 WO disclosed