SCHEMBL14865457

SCHEMBL14865457

CCc1c(C)cc(C(=O)Nc2ccc(CC(=O)O)cn2)c(=O)n1CCC(C)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.44
CNR1 P21554 3/20 0.44
AHR P35869 1/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.34
DEGS1 O15121 1/20 0.34
SORT1 Q99523 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SRC P12931 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP26A1 O43174 1/20 0.32
CYP26B1 Q9NR63 1/20 0.32

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
SCHEMBL5519135 0.93 CNR2 (0.45) CNR2CNR1AHRPTGDR2DEGS1
SCHEMBL5525887 0.78 GCK (0.48) CNR2CNR1AHRSORT1NPC1
SCHEMBL5517181 0.73 CNR2 (0.47) CNR2CNR1AHRNPC1RAB9A
SCHEMBL5519124 0.70 CNR2 (0.41) CNR2CNR1NPC1KDM4EALDH1A1
SCHEMBL5525406 0.69 CNR2 (0.41) CNR2CNR1MAPTP4HTM
SCHEMBL5509889 0.67 CNR2 (0.49) CNR2CNR1KDM4EALDH1A1MAPT
SCHEMBL5519319 0.66 CNR2 (0.45) CNR2CNR1SMN1; SMN2MEN1KMT2A
SCHEMBL5516448 0.66 CNR2 (0.47) CNR2CNR1KDM4EALDH1A1POLB
SCHEMBL5523137 0.65 CNR2 (0.55) CNR2CNR1
SCHEMBL5523022 0.65 CNR1 (0.48) CNR2CNR1PTGDR2KDM4EALDH1A1

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
EP-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 EP disclosed