SCHEMBL8931558

SCHEMBL8931558

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

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 18/20 0.84
SRD5A2 P31213 17/20 0.84

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
SCHEMBL916370 1.00 SRD5A1 (0.84) SRD5A1SRD5A2
SCHEMBL916372 1.00 SRD5A1 (0.84) SRD5A1SRD5A2
SCHEMBL917094 0.91 SRD5A2 (1.00) SRD5A1SRD5A2
SCHEMBL918267 0.91 SRD5A1 (0.86) SRD5A1SRD5A2
SCHEMBL8931520 0.91 SRD5A1 (0.86) SRD5A1SRD5A2
SCHEMBL918268 0.91 SRD5A1 (0.86) SRD5A1SRD5A2
SCHEMBL917095 0.91 SRD5A2 (1.00) SRD5A1SRD5A2
SCHEMBL8931551 0.91 SRD5A2 (1.00) SRD5A1SRD5A2
SCHEMBL917240 0.91 SRD5A2 (0.84) SRD5A1SRD5A2
SCHEMBL1587376 0.91 SRD5A2 (0.84) SRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572165-A1 New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP claimed
WO-1993023419-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-CHOLESTAN-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
EP-0572165-B1 New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors MERCK & CO INC (US) 1997-09-17 EP disclosed
US-5527807-A TREATING ALOPECIA, ACNE, PROSTATE DISORDERS MERCK & CO., INC. (US) 1996-06-18 US disclosed
EP-0572165-A1 New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP disclosed
WO-1993023419-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-CHOLESTAN-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed