SCHEMBL2597548

SCHEMBL2597548

C=C(C)C(=O)OC(C)OC(=O)c1ccccc1-c1ccccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 6/20 0.39
CYP2C9 P11712 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
MYC P01106 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALOX12 P18054 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ESR1 P03372 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HMGB1 P09429 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL36716 0.90 ALDH1A1 (0.48) NPC1ALDH1A1CYP2C9KDM4EHSD17B10
SCHEMBL27588783 0.89 SCN1A (0.52) SCN1ASCN2ASCN3ANPC1PTGS1
SCHEMBL725657 0.87 TSHR (0.43) SCN1ASCN2ASCN3ANPC1ALDH1A1
SCHEMBL6536427 0.83 KDM4E (0.41) NPC1ALDH1A1CYP2C9KDM4EHSD17B10
SCHEMBL3997110 0.83 ALDH1A1 (0.36) NPC1ALDH1A1CYP2C9KDM4EHSD17B10
SCHEMBL1319506 0.81 ALDH1A1 (0.37) ALDH1A1TSHRTDP1ELANE
SCHEMBL7897908 0.81 HSD17B10 (0.52) NPC1ALDH1A1CYP2C9KDM4EHSD17B10
SCHEMBL6285569 0.81 MAPK1 (0.39) NPC1ALDH1A1CYP2C9KDM4EHSD17B10
SCHEMBL10731362 0.80 PTPN2 (0.39) SCN1ASCN2ASCN3ANPC1ALDH1A1
SCHEMBL8190350 0.79 TSHR (0.49) SCN1ASCN2ASCN3ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571909-B1 POLYMERIZABLE IONIC LIQUID COMPRISING AROMATIC CARBOXYLATE ANION 3M INNOVATIVE PROPERTIES CO (US) 2016-10-05 EP disclosed
EP-2571909-A1 POLYMERIZABLE IONIC LIQUID COMPRISING AROMATIC CARBOXYLATE ANION 3M Innovative Properties Company (US) 2013-03-27 EP disclosed
WO-2011146356-A1 POLYMERIZABLE IONIC LIQUID COMPRISING AROMATIC CARBOXYLATE ANION 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-11-24 WO disclosed