Sugi Predict

Sugi Predict / Compounds / SCHEMBL9318372

SCHEMBL9318372

SCHEMBL9318372

CC(C)N(C(=O)[C@@H]1CCC2C3CCC4C=C(C(=O)OC[C@@H](C)[C@H]5CC[C@H]6[C@@H]7CC[C@H]8C=C(C(=O)O)CC[C@]8(C)[C@H]7CC[C@]56C)CC[C@]4(C)C3CC[C@@]21C)C(C)C

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 16/20 0.76
▸ SRD5A1 P18405 1/20 0.58

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
SCHEMBL8150511 0.87 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL8156399 0.87 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL8159247 0.81 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL8162586 0.81 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL8159246 0.81 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL8159250 0.81 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL9782801 0.78 SRD5A2 (0.73) SRD5A2SRD5A1
SCHEMBL9782708 0.76 SRD5A2 (0.79) SRD5A2SRD5A1
SCHEMBL10334081 0.76 SRD5A2 (0.79) SRD5A2SRD5A1
SCHEMBL9782700 0.76 SRD5A2 (0.79) SRD5A2SRD5A1

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-0576603-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO. INC. (US) 1994-01-05 — — EP disclosed