SCHEMBL7750311

SCHEMBL7750311

CC(OC(=O)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CCC4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.59
SRD5A1 P18405 4/20 0.59
AR P10275 1/20 0.49

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
SCHEMBL7750305 1.00 SRD5A2 (0.59) SRD5A2SRD5A1AR
SCHEMBL7745329 0.82 SRD5A2 (0.69) SRD5A2SRD5A1AR
SCHEMBL7745332 0.82 SRD5A2 (0.69) SRD5A2SRD5A1AR
SCHEMBL7751204 0.81 SRD5A1 (0.61) SRD5A2SRD5A1
SCHEMBL7751208 0.81 SRD5A1 (0.61) SRD5A2SRD5A1
SCHEMBL8074665 0.80 SRD5A2 (0.69) SRD5A2SRD5A1AR
SCHEMBL8074664 0.80 SRD5A2 (0.69) SRD5A2SRD5A1AR
SCHEMBL7745406 0.79 SRD5A1 (0.60) SRD5A2SRD5A1
SCHEMBL7745410 0.79 SRD5A1 (0.60) SRD5A2SRD5A1
SCHEMBL7750357 0.79 SRD5A2 (0.56) SRD5A2SRD5A1AR

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 15 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 claimed
EP-0649306-A4 ESTER DERIVATIVES OF 4-AZA-STEROIDS. MERCK & CO INC (US) 1995-08-23 EP claimed
EP-0649306-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO. INC. (US) 1995-04-26 EP claimed
WO-1993023041-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 WO claimed
EP-0649306-B1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO INC (US) 2001-01-10 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
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
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
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
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023041-A1 ESTER DERIVATIVES OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed