SCHEMBL8931534

SCHEMBL8931534

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 18/20 1.00
▸ SRD5A2 P31213 17/20 1.00

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
SCHEMBL5436410 1.00 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL8698267 1.00 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL29566189 1.00 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL916926 1.00 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL916924 1.00 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL7377153 0.90 SRD5A1 (0.82) SRD5A1SRD5A2
SCHEMBL7377158 0.90 SRD5A1 (0.82) SRD5A1SRD5A2
SCHEMBL8348117 0.90 SRD5A1 (0.82) SRD5A1SRD5A2
SCHEMBL916892 0.89 SRD5A1 (0.81) SRD5A1SRD5A2
SCHEMBL8931508 0.89 SRD5A1 (0.81) 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
WO-1995013815-A1 COMBINATION METHOD FOR THE TREATMENT OF PATTERNED ALOPECIA MERCK & CO., INC. (US) 1995-05-26 — — WO claimed
EP-0572165-A1 New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 — — EP claimed
WO-1993023419-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-CHOLESTAN-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 — — WO claimed
EP-0572165-B1 New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors MERCK & CO INC (US) 1997-09-17 — — EP disclosed
US-5527807-A TREATING ALOPECIA, ACNE, PROSTATE DISORDERS MERCK & CO., INC. (US) 1996-06-18 — — US disclosed
EP-0572165-A1 New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 — — EP disclosed
WO-1993023419-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-CHOLESTAN-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 — — WO disclosed
Send feedback