SCHEMBL9899442

SCHEMBL9899442

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
POLB P06746 4/20 0.55
KDM4E B2RXH2 1/20 0.55
TP53 P04637 1/20 0.55
GLA P06280 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
HPGD P15428 1/20 0.55
ALOX12 P18054 1/20 0.55
NFKB1 P19838 1/20 0.55
APEX1 P27695 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
TNF P01375 1/20 0.47
HSD11B1 P28845 1/20 0.46
DNMT1 P26358 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.45

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
SCHEMBL1756998 0.88 ALDH1A1 (0.49) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL2992785 0.85 ALDH1A1 (0.73) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL11203228 0.84 ALDH1A1 (0.56) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL512529 0.83 ALDH1A1 (0.71) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL7288420 0.83 ALDH1A1 (0.71) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL2989623 0.83 ALDH1A1 (0.50) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL6694333 0.81 ALDH1A1 (0.69) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL7280955 0.81 ALDH1A1 (0.58) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL9899716 0.80 ALDH1A1 (0.50) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL1757074 0.79 ALDH1A1 (0.56) 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 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