SCHEMBL4595150

SCHEMBL4595150

CCCCCC(OON1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.42
CTRC Q99895 1/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
APEX1 P27695 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4595171 0.99 ASAH1 (0.44) ASAH1CTRCALDH1A1CYP1A2CYP2C9
SCHEMBL9899697 0.99 ASAH1 (0.44) ASAH1CTRCALDH1A1CYP1A2CYP2C9
SCHEMBL4595191 0.99 ASAH1 (0.44) ASAH1CTRCALDH1A1CYP1A2CYP2C9
SCHEMBL4595984 0.99 ASAH1 (0.44) ASAH1CTRCALDH1A1CYP1A2CYP2C9
SCHEMBL9898476 0.99 ASAH1 (0.44) ASAH1CTRCALDH1A1CYP1A2CYP2C9
SCHEMBL179773 0.96 PPARG (0.43) ASAH1ALDH1A1CYP1A2CYP2C9PTGES
SCHEMBL4013811 0.96 PPARG (0.43) ASAH1ALDH1A1CYP1A2CYP2C9PTGES
SCHEMBL9899718 0.91 PPARG (0.46) ALDH1A1CYP1A2CYP2C9PPARGPPARA
SCHEMBL2989624 0.85 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9PPARGPPARA
SCHEMBL309713 0.79 ALDH1A1 (0.42) ASAH1ALDH1A1CYP1A2CYP2C9PPARG

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-1627908-B1 Liquid bleaching compositions PROCTER & GAMBLE (US) 2008-01-16 EP claimed
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