Sugi Predict

Sugi Predict / Compounds / SCHEMBL9546398

SCHEMBL9546398

SCHEMBL9546398

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC4CC4)C[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 17/20 0.78
▸ SRD5A2 P31213 16/20 0.78

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
SCHEMBL9098306 1.00 SRD5A1 (0.78) SRD5A1SRD5A2
SCHEMBL916690 1.00 SRD5A1 (0.78) SRD5A1SRD5A2
SCHEMBL916691 1.00 SRD5A1 (0.78) SRD5A1SRD5A2
SCHEMBL916484 0.92 SRD5A1 (0.79) SRD5A1SRD5A2
SCHEMBL916483 0.92 SRD5A1 (0.79) SRD5A1SRD5A2
SCHEMBL8931524 0.92 SRD5A1 (0.79) SRD5A1SRD5A2
SCHEMBL9546430 0.92 SRD5A1 (0.79) SRD5A1SRD5A2
SCHEMBL8931512 0.90 SRD5A1 (0.67) SRD5A1SRD5A2
SCHEMBL8931549 0.89 SRD5A1 (0.75) SRD5A1SRD5A2
SCHEMBL916600 0.89 SRD5A1 (0.75) 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