SCHEMBL8407102

SCHEMBL8407102

CC(C)(O)C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.66
HTT P42858 1/20 0.66
EPHX2 P34913 1/20 0.63
TRPV1 Q8NER1 2/20 0.60
PDK1 Q15118 1/20 0.60
PDK2 Q15119 1/20 0.60
PDK3 Q15120 1/20 0.60
PDK4 Q16654 1/20 0.60
CNR2 P34972 1/20 0.55
KIF11 P52732 1/20 0.54
TGM2 P21980 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
RORC P51449 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP3A4 P08684 2/20 0.52
PGR P06401 1/20 0.52

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
SCHEMBL3736169 0.87 L3MBTL1 (0.73) LMNAHTTEPHX2TRPV1PDK1
SCHEMBL11874552 0.84 LMNA (0.64) LMNAHTTEPHX2TRPV1PDK1
SCHEMBL20870704 0.82 EPHX2 (0.70) LMNAHTTEPHX2TRPV1KIF11
SCHEMBL3959053 0.80 HTT (1.00) LMNAHTTEPHX2TRPV1PDK1
SCHEMBL26626317 0.79 EPHX2 (0.66) LMNAHTTEPHX2TRPV1PDK1
SCHEMBL30481207 0.79 LMNA (0.62) LMNAHTTEPHX2TRPV1PDK1
SCHEMBL18086475 0.79 L3MBTL1 (0.59) HTTPDK1PDK2PDK3PDK4
SCHEMBL669442 0.79 EPHX2 (0.70) LMNAHTTEPHX2TRPV1KIF11
SCHEMBL11875212 0.78 LMNA (0.57) LMNAHTTEPHX2TRPV1PDK1
SCHEMBL10787271 0.78 CNR2 (0.67) LMNAHTTEPHX2TRPV1PDK1

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