SCHEMBL8407481

SCHEMBL8407481

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.44
TP53 P04637 2/20 0.44
GAA P10253 1/20 0.42
AR P10275 2/20 0.41
KMT2A Q03164 2/20 0.41
MLYCD O95822 1/20 0.40
CETP P11597 1/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.37
CES2 O00748 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL8409108 0.84 MDM4 (0.43) MDM4TP53GAAARKMT2A
SCHEMBL8407115 0.82 MDM4 (0.44) MDM4TP53GAAARKMT2A
SCHEMBL8410669 0.82 KDM4E (0.42) MDM4TP53GAAKMT2AMLYCD
SCHEMBL8410205 0.80 MDM4 (0.39) MDM4TP53GAAARKMT2A
SCHEMBL8409158 0.78 AR (0.69) MDM4TP53GAAARKMT2A
SCHEMBL8407154 0.77 MDM4 (0.44) MDM4TP53GAAARKMT2A
SCHEMBL8409864 0.72 GAA (0.43) MDM4TP53GAAARKMT2A
SCHEMBL8409970 0.72 MDM4 (0.45) MDM4TP53GAAKMT2AMLYCD
SCHEMBL8410365 0.71 GAA (0.43) MDM4TP53GAAARKMT2A
SCHEMBL8409003 0.71 AR (0.55) MDM4TP53GAAARKMT2A

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