SCHEMBL9111609

SCHEMBL9111609

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

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 14/20 0.78
SRD5A1 P18405 3/20 0.64

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
SCHEMBL9110037 0.90 SRD5A2 (0.73) SRD5A2SRD5A1
SCHEMBL10704713 0.88 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL8148978 0.88 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL8148982 0.88 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL9110352 0.82 SRD5A2 (0.71) SRD5A2SRD5A1
SCHEMBL8149717 0.82 SRD5A2 (0.75) SRD5A2SRD5A1
SCHEMBL8149720 0.82 SRD5A2 (0.75) SRD5A2SRD5A1
SCHEMBL8802570 0.82 SRD5A2 (0.77) SRD5A2SRD5A1
SCHEMBL8803249 0.82 SRD5A2 (0.77) SRD5A2SRD5A1
SCHEMBL8148938 0.81 SRD5A2 (0.75) 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