Sugi Predict

Sugi Predict / Compounds / SCHEMBL9546436

SCHEMBL9546436

SCHEMBL9546436

CCC1CC1C1C[C@H]2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@H]12

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 17/20 0.83
▸ SRD5A2 P31213 17/20 0.83

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
SCHEMBL8931506 1.00 SRD5A1 (0.83) SRD5A1SRD5A2
SCHEMBL917441 0.91 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL8336441 0.91 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL917440 0.91 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL8926996 0.86 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL1587346 0.86 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL916785 0.86 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL916784 0.86 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL8698267 0.85 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL8931534 0.85 SRD5A1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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