SCHEMBL17935736

SCHEMBL17935736

CCCn1c(=O)[nH]c(=O)n(CCC)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.50
GLA P06280 1/20 0.50
MAPT P10636 1/20 0.50
PDE4A P27815 6/20 0.44
ADORA2A P29274 6/20 0.44
PDE4B Q07343 6/20 0.44
PDE4C Q08493 6/20 0.44
PDE4D Q08499 6/20 0.44
ADORA2B P29275 3/20 0.44
ADORA3 P0DMS8 2/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
HPGD P15428 1/20 0.44
ADORA1 P30542 1/20 0.44
BLM P54132 1/20 0.44
PDE3A Q14432 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM1A O60341 1/20 0.43

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
SCHEMBL29251516 0.89 MAPT (0.47) APEX1SMN1; SMN2GLAMAPTPDE4A
SCHEMBL1560781 0.86 CYP3A4 (0.54) APEX1SMN1; SMN2GLAMAPTPDE4A
SCHEMBL11637084 0.86 MAPT (0.53) APEX1MAPTPDE4AADORA2APDE4B
SCHEMBL4944968 0.85 SMN1; SMN2 (0.43) APEX1SMN1; SMN2GLAMAPTPDE4A
SCHEMBL17935673 0.84 APEX1 (0.42) APEX1SMN1; SMN2GLAMAPTPDE4A
SCHEMBL27714037 0.82 HTT (0.49) APEX1SMN1; SMN2MAPTADORA2BKDM4E
SCHEMBL19336852 0.82 HTT (0.49) APEX1SMN1; SMN2MAPTADORA2BKDM4E
SCHEMBL31098153 0.82 HTT (0.49) APEX1SMN1; SMN2MAPTADORA2BKDM4E
SCHEMBL10946843 0.82 SMN1; SMN2 (0.55) APEX1SMN1; SMN2GLAMAPTADORA2A
SCHEMBL331903 0.81 PDE4A (0.47) PDE4AADORA2APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170162906-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2017-06-08 US disclosed
US-20160211553-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2016-07-21 US disclosed