SCHEMBL9899697

SCHEMBL9899697

CCCCCCCCCCC(OON1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.44
CTRC Q99895 1/20 0.42
ALDH1A1 P00352 2/20 0.40
CDC25A P30304 9/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 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 1.00 ASAH1 (0.44) ASAH1CTRCALDH1A1CDC25ANR1H2
SCHEMBL4595984 1.00 ASAH1 (0.44) ASAH1CTRCALDH1A1CDC25ANR1H2
SCHEMBL9898476 1.00 ASAH1 (0.44) ASAH1CTRCALDH1A1CDC25ANR1H2
SCHEMBL4595191 1.00 ASAH1 (0.44) ASAH1CTRCALDH1A1CDC25ANR1H2
SCHEMBL4595150 0.99 ASAH1 (0.42) ASAH1CTRCALDH1A1CDC25ACYP1A2
SCHEMBL179773 0.95 PPARG (0.43) ASAH1ALDH1A1CYP1A2CYP2C9PTGES
SCHEMBL4013811 0.95 PPARG (0.43) ASAH1ALDH1A1CYP1A2CYP2C9PTGES
SCHEMBL9899718 0.89 PPARG (0.46) ALDH1A1CYP1A2CYP2C9PPARG
SCHEMBL2989624 0.84 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9PPARG
SCHEMBL309713 0.78 ALDH1A1 (0.42) ASAH1ALDH1A1CDC25ACYP1A2CYP2C9

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