SCHEMBL4531783

SCHEMBL4531783

CC(C)(CO)NC(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)O)CC2)O3)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
NAMPT P43490 3/20 0.33
HTT P42858 1/20 0.32
HDAC4 P56524 1/20 0.31
JAK1 P23458 1/20 0.31
KMT2A Q03164 1/20 0.31
SCD O00767 1/20 0.31
SCD5 Q86SK9 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
NPY2R P49146 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL4538116 0.92 LMNA (0.43) GPR119LMNAKMT2A
SCHEMBL13586062 0.90 PTPN2 (0.44) ABL1GPR119NPC1RAB9AHDAC4
SCHEMBL13586044 0.90 ALDH1A1 (0.37) ABL1GPR119LMNAKMT2A
SCHEMBL4352709 0.86 HDAC1 (0.33) ABL1GPR119KMT2A
SCHEMBL4534161 0.86 SCD5 (0.41) GPR119KMT2ASCDSCD5HRH3
SCHEMBL4538002 0.85 NPY2R (0.42) GPR119NAMPTKMT2AHRH3NPY2R
SCHEMBL4533473 0.85 LMNA (0.40) LMNANAMPT
SCHEMBL4533472 0.83 KMT2A (0.44) NPC1RAB9AKMT2AHRH3
SCHEMBL4361277 0.83 MAPK14 (0.40) LMNANAMPT
SCHEMBL4540129 0.82 ALDH1A1 (0.43) LMNANAMPTHTTKMT2A

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-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed