SCHEMBL8545251

SCHEMBL8545251

CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCC(=O)O)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.58
SRD5A2 P31213 1/20 0.58

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
SCHEMBL8724745 0.97 SRD5A1 (0.57) SRD5A1SRD5A2
SCHEMBL8723340 0.96 HSD17B7 (0.57) SRD5A1SRD5A2
SCHEMBL8725556 0.96 HSD17B7 (0.57) SRD5A1SRD5A2
SCHEMBL8723334 0.96 HSD17B7 (0.57) SRD5A1SRD5A2
SCHEMBL8723337 0.96 HSD17B7 (0.57) SRD5A1SRD5A2
SCHEMBL8725551 0.96 HSD17B7 (0.57) SRD5A1SRD5A2
SCHEMBL8725548 0.96 HSD17B7 (0.57) SRD5A1SRD5A2
SCHEMBL8724850 0.86 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL5069448 0.86 SRD5A1 (0.61) SRD5A1SRD5A2
SCHEMBL8525804 0.86 HSD17B7 (0.53) 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
US-5760045-A BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. (US) 1998-06-02 US disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
US-5510351-A PREGNANE ENZYME INHIBITOR FOR TREATING SKIN DISORDER, BALDNESS, PROSTATIC CANCER MERCK & CO., INC. (US) 1996-04-23 US disclosed
EP-0646007-A4 1995-04-26 EP disclosed
EP-0646007-A1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17-g(b)-SUBSTITUTED-4-AZA-5-g(a)-ANDROSTAN-3-ONES AS 5-g(a)-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-04-05 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-1993023050-A1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed