SCHEMBL8407115

SCHEMBL8407115

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
AR P10275 1/20 0.41
CXCR2 P25025 4/20 0.41
MLYCD O95822 1/20 0.40
GRM4 Q14833 1/20 0.40
CETP P11597 1/20 0.39
NOTUM Q6P988 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL8409970 0.87 MDM4 (0.45) MDM4TP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL8407481 0.82 MDM4 (0.44) MDM4TP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL8410380 0.80 CXCR2 (0.55) MDM4TP53KMT2AALDH1A1MEN1
SCHEMBL8409158 0.78 AR (0.69) MDM4TP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL8409108 0.75 MDM4 (0.43) MDM4TP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL8410454 0.75 MDM4 (0.43) MDM4TP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL8407154 0.73 MDM4 (0.44) MDM4TP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL8408918 0.72 MEN1 (0.49) MDM4TP53KMT2AALDH1A1MEN1
SCHEMBL14254814 0.72 ALDH1A1 (0.64) TP53ALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL8410365 0.71 GAA (0.43) MDM4TP53KMT2AALDH1A1SMN1; SMN2

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