SCHEMBL13611310

SCHEMBL13611310

O=C(O)CNc1ccc(CC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.54
RAB9A P51151 1/20 0.54
GFER P55789 1/20 0.54
CA2 P00918 1/20 0.54
CAMK2A Q9UQM7 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
AKR1B1 P15121 1/20 0.52
ABCC4 O15439 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
PTGS1 P23219 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
NR1H4 Q96RI1 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 2/20 0.46

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
Phenylacetic Acid SCHEMBL28981718 0.88 AKR1B1 (0.65) FFAR1SMN1; SMN2RAB9AGFERCA2
SCHEMBL5692310 0.87 ALDH1A1 (0.44) FFAR1SMN1; SMN2RAB9ACA2MEN1
SCHEMBL9516674 0.86 POLB (0.47) FFAR1SMN1; SMN2RAB9AGFERCA2
SCHEMBL11391441 0.86 CA2 (0.52) FFAR1SMN1; SMN2RAB9AGFERCA2
SCHEMBL11798378 0.83 FFAR1 (0.51) FFAR1SMN1; SMN2RAB9AGFERCA2
SCHEMBL8318965 0.83 FFAR1 (0.51) FFAR1SMN1; SMN2RAB9AGFERCA2
SCHEMBL8468352 0.83 FFAR1 (0.43) FFAR1SMN1; SMN2RAB9AGFERTSHR
SCHEMBL11407393 0.82 FFAR1 (0.54) FFAR1SMN1; SMN2RAB9AGFERCA2
Hydrochloric Acid SCHEMBL25180348 0.82 CA2 (0.75) FFAR1CA2CAMK2AMEN1KMT2A
Hydrochloric Acid SCHEMBL6765874 0.82 CA2 (0.75) FFAR1CA2CAMK2AMEN1KMT2A

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