SCHEMBL4258886

SCHEMBL4258886

CC(C(N)=O)c1cccc(C(=O)c2ccco2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RECQL P46063 2/20 0.53
POLB P06746 1/20 0.53
THRB P10828 1/20 0.53
APEX1 P27695 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PTGS1 P23219 4/20 0.49
MAPT P10636 4/20 0.49
PTGS2 P35354 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
CYP3A4 P08684 2/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49

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
SCHEMBL4258877 1.00 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ARECQLPOLB
SCHEMBL11616443 0.87 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ARECQLPOLB
SCHEMBL14920649 0.86 MEN1 (0.56) ALDH1A1MEN1KMT2ARECQLPOLB
SCHEMBL1889981 0.84 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ARECQLPOLB
SCHEMBL1889984 0.84 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ARECQLPOLB
SCHEMBL27870610 0.81 MEN1 (0.53) ALDH1A1MEN1KMT2ARECQLPOLB
SCHEMBL1884640 0.80 PTGS1 (0.52) ALDH1A1MEN1KMT2ARECQLPOLB
SCHEMBL1884642 0.80 PTGS1 (0.52) ALDH1A1MEN1KMT2ARECQLPOLB
SCHEMBL1885300 0.80 MAPT (0.49) ALDH1A1MEN1KMT2ARECQLPOLB
SCHEMBL1888500 0.80 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ARECQLPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101184726-B 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG 2012-05-30 CN claimed
EP-1856031-B1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA R MA SPA RES & MFG (IT) 2009-02-25 EP claimed
CN-101184726-A 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG (IT) 2008-05-21 CN claimed
CN-101184726-B 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG 2012-05-30 CN disclosed
CN-101184726-A 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG (IT) 2008-05-21 CN disclosed