SCHEMBL8410380

SCHEMBL8410380

CC(C)C(=O)Nc1ccc(Cl)c(Cl)c1O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 7/20 0.55
CXCR1 P25024 1/20 0.55
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.47
MDM4 O15151 2/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 2/20 0.44
GRM4 Q14833 1/20 0.44
CETP P11597 1/20 0.44
CX3CR1 P49238 1/20 0.43
HTT P42858 2/20 0.42
MDM2 Q00987 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8407115 0.80 MDM4 (0.44) CXCR2MEN1KMT2AALDH1A1GAA
SCHEMBL8408918 0.79 MEN1 (0.49) CXCR2CXCR1MEN1KMT2AALDH1A1
SCHEMBL8409264 0.79 ALDH1A1 (0.47) CXCR2CXCR1MEN1KMT2AALDH1A1
SCHEMBL19927416 0.78 CXCR2 (0.57) CXCR2CXCR1MEN1KMT2ALMNA
SCHEMBL14519906 0.77 MEN1 (0.61) CXCR2MEN1KMT2AALDH1A1MDM4
SCHEMBL1880282 0.75 CXCR2 (0.70) CXCR2CXCR1MEN1KMT2AALDH1A1
SCHEMBL8409970 0.74 MDM4 (0.45) MEN1KMT2AALDH1A1GAAMDM4
SCHEMBL12323597 0.74 GAA (0.53) MEN1KMT2AALDH1A1GAAMDM4
SCHEMBL14254797 0.74 ALDH1A1 (0.55) MEN1KMT2AALDH1A1LMNAGRM4
SCHEMBL14254815 0.74 LMNA (0.62) MEN1KMT2AALDH1A1LMNAHTT

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
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