SCHEMBL1733842

SCHEMBL1733842

CC(C)(C)[Si](C)(C)OCC(N(Cc1ccccc1)C(=O)O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C19 P33261 2/20 0.36
RIPK1 Q13546 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CES1 P23141 1/20 0.36
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL16213520 0.82 MEN1 (0.40) MEN1KMT2ALMNAL3MBTL1POLB
SCHEMBL16213419 0.81 MEN1 (0.40) MEN1KMT2ALMNAL3MBTL1POLB
SCHEMBL16213420 0.81 MEN1 (0.40) MEN1KMT2ALMNAL3MBTL1POLB
SCHEMBL1734730 0.74 MEN1 (0.47) MEN1KMT2ALMNAL3MBTL1POLB
SCHEMBL31335359 0.74 KMT2A (0.41) MEN1KMT2ALMNAL3MBTL1POLB
SCHEMBL30613681 0.74 KMT2A (0.41) MEN1KMT2ALMNAL3MBTL1POLB
SCHEMBL26132032 0.74 KMT2A (0.41) MEN1KMT2ALMNAL3MBTL1POLB
SCHEMBL19671101 0.74 MEN1 (0.37) MEN1KMT2ALMNAL3MBTL1POLB
SCHEMBL21080317 0.73 EPOR (0.46) MEN1KMT2ALMNAL3MBTL1POLB
SCHEMBL21080314 0.73 EPOR (0.46) MEN1KMT2ALMNAL3MBTL1POLB

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-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 US disclosed