SCHEMBL14409181

SCHEMBL14409181

C=CC(=O)N(CC(=O)O)CC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.39
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TSHR P16473 4/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ZDHHC20 Q5W0Z9 2/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
PSMB5 P28074 2/20 0.32
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX15 P16050 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
SCHEMBL16285077 0.92 MGAM (0.41) GSTO1MGAMGAASIMGAM2
SCHEMBL14416553 0.84 KMT2A (0.43) GSTO1TSHRALDH1A1LMNAZDHHC20
SCHEMBL6402606 0.84 LMNA (0.38) GSTO1TSHRALDH1A1LMNAZDHHC20
SCHEMBL20125900 0.83 PSMB5 (0.40) GSTO1MGAMGAASIMGAM2
SCHEMBL13411249 0.82 GAA (0.42) GSTO1MGAMGAASIMGAM2
SCHEMBL20125931 0.80 ZDHHC20 (0.41) GSTO1MGAMGAASIMGAM2
SCHEMBL29199469 0.79 ZDHHC20 (0.33) GSTO1ZDHHC20ZDHHC2
SCHEMBL20125985 0.77 ZDHHC20 (0.49) GSTO1MGAMGAASIMGAM2
SCHEMBL8018156 0.76 PSMB5 (0.40) GSTO1TSHRALDH1A1LMNAZDHHC20
SCHEMBL8533370 0.76 TSHR (0.36) GSTO1TSHRALDH1A1LMNAZDHHC20

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
US-20070218404-A1 Infrared-sensitive lithographic printing plate FUJIFILM CORPORATION (JP) 2007-09-20 US disclosed