Sugi Predict

Sugi Predict / Compounds / SCHEMBL8823347

SCHEMBL8823347

SCHEMBL8823347

C[C@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)OCCC#N)CC[C@@H]12

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 4/20 0.59
▸ SRD5A1 P18405 3/20 0.55
▸ AR P10275 1/20 0.55

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
SCHEMBL8823384 1.00 SRD5A2 (0.59) SRD5A2SRD5A1AR
SCHEMBL14355642 0.82 SRD5A2 (0.69) SRD5A2SRD5A1AR
SCHEMBL13970806 0.82 SRD5A2 (0.69) SRD5A2SRD5A1AR
SCHEMBL13950495 0.82 SRD5A2 (0.69) SRD5A2SRD5A1AR
SCHEMBL5906987 0.82 SRD5A2 (0.69) SRD5A2SRD5A1AR
SCHEMBL5273346 0.82 SRD5A2 (0.69) SRD5A2SRD5A1AR
SCHEMBL5273343 0.82 SRD5A2 (0.69) SRD5A2SRD5A1AR
SCHEMBL14477870 0.82 SRD5A2 (0.69) SRD5A2SRD5A1AR
SCHEMBL8823369 0.82 SRD5A1 (0.61) SRD5A2SRD5A1
SCHEMBL8823378 0.80 SRD5A2 (0.58) SRD5A2SRD5A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538192-B1 New 17-beta-substituted aza-androstanderivatives CIBA GEIGY AG (CH) 1997-04-23 — — EP disclosed
US-5304562-A Inhibitors of 5-alpha-reductase; treating prostate disorders CIBA-GEIGY CORPORATION (US) 1994-04-19 — — US disclosed
EP-0538192-A1 New 17-beta-substituted aza-androstanderivatives CIBA-GEIGY AG (CH) 1993-04-21 — — EP disclosed