SCHEMBL9947532

SCHEMBL9947532

O=C(O)CCN1C(=O)C2C=CC=CC2C1=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS1 P23219 4/20 0.38
PTGS2 P35354 4/20 0.38
MAPT P10636 1/20 0.37
APEX1 P27695 1/20 0.36
CYP1A2 P05177 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL14793027 0.78 ALDH1A1 (0.46) MAPK1ALDH1A1KDM4EMEN1LMNA
SCHEMBL11941712 0.74 ALDH1A1 (0.55) MAPK1ALDH1A1PKMKDM4ENPSR1
SCHEMBL15043610 0.73 MAPK1 (0.61) MAPK1ALDH1A1PKMKDM4EMAPT
SCHEMBL31141366 0.73 MAPK1 (1.00) MAPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2590178 0.73 MAPK1 (0.61) MAPK1ALDH1A1PKMKDM4EMAPT
SCHEMBL10031686 0.73 MAPK1 (1.00) MAPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29625363 0.73 MAPK1 (1.00) MAPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7802853 0.69 MAPK1 (0.53) MAPK1ALDH1A1PKMKDM4EKMT2A
SCHEMBL15304132 0.69 CNR2 (0.50) ALDH1A1MEN1KMT2APTGS1PTGS2
SCHEMBL7806227 0.69 MAPK1 (0.53) MAPK1ALDH1A1PKMKDM4EKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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