SCHEMBL8980779

SCHEMBL8980779

O=C(O)CCOON1C(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 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
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
GAA P10253 2/20 0.46
PPARD Q03181 1/20 0.44
PPARA Q07869 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
SCHEMBL1531985 0.90 PPARG (0.50) ALDH1A1KDM4EHPGDTP53GLA
SCHEMBL1532120 0.89 PPARG (0.46) ALDH1A1KDM4EHPGDTP53GLA
SCHEMBL26480 0.88 PPARG (0.45) ALDH1A1KDM4EHPGDTP53GLA
SCHEMBL1532004 0.88 PPARG (0.45) ALDH1A1KDM4EHPGDTP53GLA
SCHEMBL4339878 0.81 PPARG (0.40) ALDH1A1KDM4EHPGDTP53GLA
SCHEMBL14237856 0.78 GAA (0.75) ALDH1A1KDM4EHPGDTP53GLA
SCHEMBL29475643 0.78 GAA (0.75) ALDH1A1KDM4EHPGDTP53GLA
SCHEMBL14237920 0.78 GAA (0.75) ALDH1A1KDM4EHPGDTP53GLA
SCHEMBL18262805 0.77 GAA (0.59) ALDH1A1KDM4EHPGDTP53GLA
Hexanoate SCHEMBL27567437 0.76 AKR1B1 (0.48) ALDH1A1HSD17B10CYP1A2CYP2C9PPARD

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