SCHEMBL7752602

SCHEMBL7752602

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

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.68
SRD5A2 P31213 2/20 0.68

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
SCHEMBL7752608 1.00 SRD5A1 (0.68) SRD5A1SRD5A2
SCHEMBL8075915 0.89 SRD5A1 (0.74) SRD5A1SRD5A2
SCHEMBL8075912 0.89 SRD5A1 (0.74) SRD5A1SRD5A2
SCHEMBL8074997 0.87 SRD5A1 (0.71) SRD5A1SRD5A2
SCHEMBL8074995 0.87 SRD5A1 (0.71) SRD5A1SRD5A2
SCHEMBL7750316 0.86 SRD5A1 (0.68) SRD5A1SRD5A2
SCHEMBL7750314 0.86 SRD5A1 (0.68) SRD5A1SRD5A2
SCHEMBL8078408 0.86 SRD5A1 (0.70) SRD5A1SRD5A2
SCHEMBL8078409 0.86 SRD5A1 (0.70) SRD5A1SRD5A2
SCHEMBL7745357 0.86 SRD5A1 (0.76) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649306-B1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO INC (US) 2001-01-10 EP disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
US-5610162-A ENZYME INHIBITORS MERCK & CO., INC. (US) 1997-03-11 US disclosed
EP-0649306-A4 ESTER DERIVATIVES OF 4-AZA-STEROIDS. MERCK & CO INC (US) 1995-08-23 EP disclosed
EP-0649306-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO. INC. (US) 1995-04-26 EP disclosed
WO-1993023041-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed