SCHEMBL8518922

SCHEMBL8518922

CC(=O)OC(C)(C)C(=O)c1c(N)ccc(C#N)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPK8 P45983 2/20 0.33
MAPK9 P45984 1/20 0.33
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
F2 P00734 1/20 0.32
KMT2A Q03164 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 1/20 0.32
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
TTK P33981 1/20 0.30
RPS27 P42677 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
SCHEMBL8519615 0.86 KDM4E (0.36) ALDH1A1MAPK8MAPK9KDM4EUSP2
SCHEMBL10974442 0.85 AR (0.32) AR
SCHEMBL8519767 0.81 AR (0.38) ALDH1A1MAPK8PGRARCCNA2
SCHEMBL10975698 0.77 PDK1 (0.43) PGRAR
SCHEMBL10984328 0.76 AR (0.34) PGRAR
SCHEMBL8519174 0.67 MAP4K1 (0.37) KDM4E
SCHEMBL31382900 0.67 TRPA1 (0.39) ALDH1A1KDM4EAR
SCHEMBL2428317 0.65 GRM6 (0.41) ALDH1A1KDM4EUSP2PGRAR
SCHEMBL8518907 0.64 AR (0.46) PGRAR
SCHEMBL8518923 0.63 ALDH1A1 (0.55) ALDH1A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
EP-0514056-A2 Use of estrogens or antiandrogens for reversal of male sexual phenotype in poultry MERCK & CO. INC. (US) 1992-11-19 EP disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
US-4282218-A ANTIANDROGENS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-08-04 US disclosed
US-4239776-A Anti-androgenic amides IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-12-16 US disclosed
EP-0002309-A2 Acylanilides, process for their manufacture and pharmaceutical and veterinary compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-06-13 EP disclosed