SCHEMBL9546872

SCHEMBL9546872

CC(O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.58
SRD5A1 P18405 3/20 0.53
AR P10275 1/20 0.48

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
SCHEMBL9546867 0.86 SRD5A2 (0.55) SRD5A2SRD5A1AR
SCHEMBL7745332 0.81 SRD5A2 (0.69) SRD5A2SRD5A1AR
SCHEMBL7745329 0.81 SRD5A2 (0.69) SRD5A2SRD5A1AR
SCHEMBL9546869 0.81 SRD5A2 (0.56) SRD5A2SRD5A1AR
SCHEMBL8927179 0.78 SRD5A1 (0.57) SRD5A1
SCHEMBL8927213 0.78 SRD5A1 (0.57) SRD5A1
SCHEMBL9546871 0.78 SRD5A1 (0.57) SRD5A1
SCHEMBL8925120 0.78 SRD5A1 (0.57) SRD5A1
SCHEMBL8927210 0.78 SRD5A1 (0.57) SRD5A1
SCHEMBL8925124 0.78 SRD5A1 (0.57) SRD5A1

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
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed