SCHEMBL8980783

SCHEMBL8980783

CC(OON1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
ALDH1A1 P00352 6/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 2/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL13437819 0.83 LMNA (0.47) LMNAALDH1A1CYP1A2CYP2C9GAA
SCHEMBL18262729 0.83 LMNA (0.47) LMNAALDH1A1CYP1A2CYP2C9GAA
SCHEMBL17111877 0.83 LMNA (0.47) LMNAALDH1A1CYP1A2CYP2C9GAA
SCHEMBL2989624 0.80 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL3001320 0.80 TNF (0.46) LMNAALDH1A1CYP1A2CYP2C9GAA
SCHEMBL9899718 0.77 PPARG (0.46) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL5047693 0.75 ALDH1A1 (0.46) LMNAALDH1A1CYP1A2CYP2C9MAPT
SCHEMBL179773 0.75 PPARG (0.43) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL4013811 0.75 PPARG (0.43) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL4870153 0.75 GAA (0.43) ALDH1A1CYP1A2CYP2C9GAAMAPT

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
EP-0711277-A1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER PLC (GB) 1996-05-15 EP disclosed
WO-1995003276-A1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER N.V. (NL) 1995-02-02 WO disclosed