SCHEMBL8726930

SCHEMBL8726930

COC(=O)CCCCCCCC(=O)N[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 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD17B7 P56937 1/20 0.53

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
SCHEMBL8726935 1.00 HSD17B7 (0.53) HSD17B7
SCHEMBL8910844 0.86 HSD17B7 (0.50) HSD17B7
SCHEMBL8910849 0.86 HSD17B7 (0.50) HSD17B7
SCHEMBL8524732 0.86 HSD17B7 (0.51) HSD17B7
SCHEMBL8525512 0.86 HSD17B7 (0.51) HSD17B7
SCHEMBL8524735 0.86 HSD17B7 (0.51) HSD17B7
SCHEMBL8902991 0.86 SRD5A1 (0.51) HSD17B7
SCHEMBL8902988 0.86 SRD5A1 (0.51) HSD17B7
SCHEMBL8910199 0.85 SRD5A1 (0.52)
SCHEMBL8910207 0.85 SRD5A1 (0.52)

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-0649431-A4 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. 1995-05-03 EP claimed
EP-0649431-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-04-26 EP claimed
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
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