SCHEMBL8525142

SCHEMBL8525142

CCCCCCCCCCCCCCCCCC(=O)NC(C)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD17B7 P56937 1/20 0.61
SRD5A1 P18405 6/20 0.59
SRD5A2 P31213 3/20 0.59

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
SCHEMBL8525138 1.00 HSD17B7 (0.61) HSD17B7SRD5A1SRD5A2
SCHEMBL8525689 0.88 HSD17B7 (0.57) HSD17B7SRD5A1SRD5A2
SCHEMBL8723431 0.88 SRD5A1 (0.62) HSD17B7SRD5A1SRD5A2
SCHEMBL8723433 0.88 SRD5A1 (0.62) HSD17B7SRD5A1SRD5A2
SCHEMBL8931595 0.85 HSD17B7 (0.46) HSD17B7SRD5A1SRD5A2
SCHEMBL7751296 0.84 HSD17B7 (0.61) HSD17B7SRD5A1SRD5A2
SCHEMBL7750367 0.84 HSD17B7 (0.61) HSD17B7SRD5A1SRD5A2
SCHEMBL7750361 0.84 HSD17B7 (0.61) HSD17B7SRD5A1SRD5A2
SCHEMBL7751299 0.84 HSD17B7 (0.61) HSD17B7SRD5A1SRD5A2
SCHEMBL8498680 0.84 SRD5A1 (0.58) 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 9 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 claimed
US-5639741-A STEROIDS TREATING SKIN DISORDERS MERCK & CO., INC. (US) 1997-06-17 US claimed
WO-1993023038-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
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
WO-1993023038-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS 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