SCHEMBL9899716

SCHEMBL9899716

CCCC(C(=O)OO)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
POLB P06746 3/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
NFKB1 P19838 1/20 0.50
APEX1 P27695 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HSD11B1 P28845 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL21635 0.91 ALDH1A1 (0.48) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL29453019 0.91 ALDH1A1 (0.48) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL3195963 0.91 ALDH1A1 (0.48) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL9898512 0.90 ALDH1A1 (0.47) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL9898480 0.89 ALDH1A1 (0.46) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL9899146 0.89 ALDH1A1 (0.46) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL221850 0.89 ALDH1A1 (0.46) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL8856843 0.89 ALDH1A1 (0.46) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL4207144 0.89 ALDH1A1 (0.46) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL11539935 0.88 ALDH1A1 (0.53) ALDH1A1POLBKDM4ETP53GLA

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
WO-2020126493-A1 WASHING OR CLEANING AGENT CONTAINING AT LEAST ONE VINYLAMIDE HOMOPOLYMER AND/OR VINYLAMIDE-VINYLPYRROLIDONE COPOLYMER HENKEL AG & CO. KGAA (DE) 2020-06-25 WO 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