Sugi Predict

Sugi Predict / Compounds / SCHEMBL9822632

SCHEMBL9822632

SCHEMBL9822632

CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)O)=CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 15/20 0.76
▸ SRD5A1 P18405 1/20 0.54

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
SCHEMBL8150323 0.87 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL8150325 0.87 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL9822464 0.83 SRD5A2 (0.55) SRD5A2SRD5A1
SCHEMBL12178125 0.79 SRD5A2 (0.54) SRD5A2
SCHEMBL9015172 0.76 SRD5A2 (0.75) SRD5A2SRD5A1
SCHEMBL9822483 0.74 SRD5A2 (0.74) SRD5A2SRD5A1
SCHEMBL4727556 0.74 CYP19A1 (0.56) SRD5A2
SCHEMBL9822555 0.73 SRD5A2 (0.73) SRD5A2SRD5A1
SCHEMBL9318166 0.72 SRD5A2 (0.74) SRD5A2SRD5A1
SCHEMBL9578020 0.72 LMNA (0.69) SRD5A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0289327-B1 STEROID 5-ALPHA-REDUCTASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-12-18 — — EP claimed