SCHEMBL9899718

SCHEMBL9899718

CCCC(OON1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.46
PPARA Q07869 5/20 0.46
ALDH1A1 P00352 5/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.38

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
SCHEMBL179773 0.92 PPARG (0.43) PPARGPPARAALDH1A1CYP1A2CYP2C9
SCHEMBL4013811 0.92 PPARG (0.43) PPARGPPARAALDH1A1CYP1A2CYP2C9
SCHEMBL4595150 0.91 ASAH1 (0.42) PPARGPPARAALDH1A1CYP1A2CYP2C9
SCHEMBL9898476 0.89 ASAH1 (0.44) PPARGALDH1A1CYP1A2CYP2C9
SCHEMBL9899697 0.89 ASAH1 (0.44) PPARGALDH1A1CYP1A2CYP2C9
SCHEMBL4595984 0.89 ASAH1 (0.44) PPARGALDH1A1CYP1A2CYP2C9
SCHEMBL4595191 0.89 ASAH1 (0.44) PPARGALDH1A1CYP1A2CYP2C9
SCHEMBL4595171 0.89 ASAH1 (0.44) PPARGALDH1A1CYP1A2CYP2C9
SCHEMBL2989624 0.88 ALDH1A1 (0.44) PPARGPPARAALDH1A1CYP1A2CYP2C9
SCHEMBL8980783 0.77 LMNA (0.45) ALDH1A1CYP1A2CYP2C9KDM4ETP53

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
WO-2012079997-A2 COSMETIC COMPOSITION COMPRISING AN IMIDOPEROXYCARBOXYLIC ACID DERIVATIVE A BIS-ALKYL SULPHOSUCCINATE DERIVATIVE AND A 2-ACRYLAMIDO-2-METHYLPROPANESULPHONIC ACID COPOLYMER L'OREAL (FR) 2012-06-21 WO disclosed
WO-2012076345-A1 COSMETIC COMPOSITION COMPRISING AN IMIDOPEROXYCARBOXYLIC ACID, AN IMIDOCARBOXYLIC ACID AND COPOLYMER OF 2-ACRYLAMIDO-2-METHYLPROPANESULPHONIC ACID L'OREAL (FR) 2012-06-14 WO disclosed