SCHEMBL17844765

SCHEMBL17844765

CC(C)(C)NC(=O)O[C@H](C=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.42
EGFR P00533 1/20 0.41
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
TACR3 P29371 4/20 0.38
SCN9A Q15858 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX1 P07099 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 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
SCHEMBL27983615 1.00 MAPT (0.43) MAPTKMT2AEGFRLMNAMEN1
SCHEMBL27666225 0.79 HCAR2 (0.50) MAPTKMT2AEGFRLMNAMEN1
SCHEMBL17465167 0.79 HCAR2 (0.50) MAPTKMT2AEGFRLMNAMEN1
SCHEMBL20482479 0.78 KMT2A (0.48) MAPTKMT2ALMNAMEN1HTT
SCHEMBL28862367 0.78 MAPT (0.47) MAPTKMT2ALMNAMEN1HTT
SCHEMBL28305489 0.78 MAPT (0.45) MAPTKMT2AEGFRLMNAMEN1
SCHEMBL27726323 0.77 MAPT (0.46) MAPTKMT2ALMNAMEN1HTT
SCHEMBL27726319 0.77 MAPT (0.46) MAPTKMT2ALMNAMEN1HTT
SCHEMBL29112408 0.77 MAPT (0.46) MAPTKMT2ALMNAMEN1HTT
SCHEMBL11118451 0.76 ALDH1A1 (0.51) KMT2ALMNAHCAR2CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016095088-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed