SCHEMBL8524938

SCHEMBL8524938

CC(C)SCCCCCCCCCCCC(=O)NCC1CC[C@H]2[C@@H]3CCN4C(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
AR P10275 1/20 0.31
EPHA2 P29317 1/20 0.30

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
SCHEMBL8525253 1.00 SRD5A2 (0.32) SRD5A2FNTAFNTBAREPHA2
SCHEMBL8525513 0.89 LMNA (0.36) SRD5A2AR
SCHEMBL8931575 0.82 FNTA (0.36) SRD5A2FNTAFNTB
SCHEMBL8063891 0.81 SRD5A2 (0.36) SRD5A2
SCHEMBL8524937 0.80
SCHEMBL8071949 0.78 G6PD (0.41)
SCHEMBL9239824 0.78 G6PD (0.37) SRD5A2
SCHEMBL8071938 0.78 SRD5A2 (0.37) SRD5A2
SCHEMBL9113667 0.75 SRD5A1 (0.42) SRD5A2AR
SCHEMBL8910686 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649431-B1 17-AMINO SUBSTITUTED 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 1999-08-11 EP disclosed
US-5710275-A ENZYME AND HORMONE INHIBITORS MERCK & CO., INC. (US) 1998-01-20 US disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
US-5639741-A STEROIDS TREATING SKIN DISORDERS MERCK & CO., INC. (US) 1997-06-17 US disclosed
EP-0778284-A2 New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1997-06-11 EP disclosed
EP-0649431-A4 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. 1995-05-03 EP disclosed
EP-0649431-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-04-26 EP disclosed
EP-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP disclosed