SCHEMBL9822528

SCHEMBL9822528

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

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 15/20 0.54
SRD5A1 P18405 8/20 0.54

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
SCHEMBL8149216 0.87 SRD5A2 (0.69) SRD5A2SRD5A1
SCHEMBL9822468 0.82 SRD5A2 (0.76) SRD5A2SRD5A1
SCHEMBL8394055 0.81 SRD5A2 (0.75) SRD5A2SRD5A1
SCHEMBL9822662 0.78 SRD5A2 (0.54) SRD5A2SRD5A1
SCHEMBL14199313 0.75 SRD5A2 (0.50) SRD5A2
SCHEMBL9822591 0.74 SRD5A2 (0.53) SRD5A2SRD5A1
SCHEMBL19242464 0.74 SHBG (0.50) SRD5A2
SCHEMBL9822532 0.74 SRD5A2 (0.51) SRD5A2SRD5A1
SCHEMBL12101457 0.73 MAPT (0.49) SRD5A2
SCHEMBL5925267 0.73 MAPT (0.49) SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0289327-B1 STEROID 5-ALPHA-REDUCTASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-12-18 EP claimed