Sugi Predict

Sugi Predict / Compounds / SCHEMBL8996733

SCHEMBL8996733

SCHEMBL8996733

Cc1ccc(O[C@@H]2[C@H](C)[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]3[C@@]3(C)CCC(=O)N(C)[C@H]23)cc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 1/20 0.30
▸ SRD5A1 P18405 2/20 0.30
▸ CYP19A1 P11511 3/20 0.30
▸ SRD5A2 P31213 1/20 0.30

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
SCHEMBL8523662 1.00 STS (0.30) STSSRD5A1CYP19A1SRD5A2
SCHEMBL8523677 0.92 STS (0.32) STS
SCHEMBL8523449 0.92 SRD5A1 (0.33) SRD5A1
SCHEMBL8522770 0.92 PLA2G7 (0.33) SRD5A1
SCHEMBL8524175 0.91 SRD5A1 (0.36) SRD5A1CYP19A1SRD5A2
SCHEMBL8996728 0.90 TRPC6 (0.35) —
SCHEMBL8523590 0.90 MMP12 (0.33) SRD5A1
SCHEMBL8523925 0.90 TRPC6 (0.35) —
SCHEMBL8524254 0.90 EPHX2 (0.30) —
SCHEMBL8523489 0.90 ALDH1A1 (0.37) —

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-0724592-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO. INC. (US) 1996-08-07 — — EP disclosed
WO-1995011254-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO., INC. (US) 1995-04-27 — — WO disclosed