SCHEMBL13611307

SCHEMBL13611307

COC(=O)CN(CC(=O)O)c1ccc(CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
PTPN1 P18031 4/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
NR1I2 O75469 1/20 0.36
MAOB P27338 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
PLA2G2A P14555 1/20 0.35
BLM P54132 1/20 0.35
RAB9A P51151 1/20 0.35
MLYCD O95822 1/20 0.35
NR3C1 P04150 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL13647724 0.87 ALDH1A1 (0.41) ALDH1A1MAPTPPARGPPARANR1I2
SCHEMBL13611309 0.86 PTPN1 (0.38) CYP4F2CYP4A11PTPN1PTPN6PTPN11
SCHEMBL9949291 0.84 MAPT (0.47) ALDH1A1MAPTRAB9AKDM4E
SCHEMBL13680117 0.84 KEAP1 (0.46) PTPN1ALDH1A1MAPTPPARGKEAP1
SCHEMBL13603850 0.84 ALDH1A1 (0.40) ALDH1A1MAPTNR1I2KEAP1NFE2L2
SCHEMBL3841166 0.83 TDP1 (0.44) PTPN1PTPN6PTPN11ALDH1A1NR1I2
SCHEMBL13603843 0.83 ALDH1A1 (0.42) ALDH1A1MAPTRAB9APOLB
SCHEMBL13645020 0.83 ALDH1A1 (0.43) PTPN1PTPN6PTPN11ALDH1A1MAPT
SCHEMBL13603842 0.83 KEAP1 (0.52) ALDH1A1MAPTPPARGKEAP1NFE2L2
SCHEMBL13603857 0.81 ALDH1A1 (0.41) PTPN1PTPN6PTPN11ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-7582410-B2 butadiene-styrene copolymer binder and a compound which undergoes decarboxylation due to heat, generates carbon dioxide gas, assists thermal decomposition of the coexisting binder polymer; high engraving sensitivity with low laser energy; forming flexographic printing plate FUJIFILM CORPORATION (JP) 2009-09-01 US disclosed
US-7416835-B2 Polymerizable composition FUJIFILM CORPORATION (JP) 2008-08-26 US disclosed
US-20080038663-A1 butadiene-styrene copolymer binder and a compound which undergoes decarboxylation due to heat, generates carbon dioxide gas, assists thermal decomposition of the coexisting binder polymer; high engraving sensitivity with low laser energy; forming flexographic printing plate FUJIFILM CORPORATION (JP) 2008-02-14 US disclosed