SCHEMBL7169786

SCHEMBL7169786

O=C(O)COc1cccc(OCC(=O)O)c1CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GLA P06280 1/20 0.56
PTGDR2 Q9Y5Y4 3/20 0.53
CASP1 P29466 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 1/20 0.48
AKR1B1 P15121 1/20 0.48
CD69 Q07108 2/20 0.47
PKM P14618 1/20 0.46
LMNA P02545 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
SCHEMBL8822656 0.88 PKM (0.51) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL5386792 0.82 L3MBTL1 (0.65) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL29682135 0.81 L3MBTL1 (0.80) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL340762 0.81 L3MBTL1 (0.80) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL1145948 0.79 KMT2A (0.62) KDM4EALDH1A1HPGDTDP1L3MBTL1
Ammonia Solution, Strong SCHEMBL28240461 0.79 L3MBTL1 (0.77) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL503961 0.78 L3MBTL1 (0.77) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL7752635 0.78 FABP4 (0.60) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL12015669 0.78 L3MBTL1 (0.54) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL5379717 0.78 L3MBTL1 (0.63) KDM4EALDH1A1HPGDTDP1L3MBTL1

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-1026146-B1 A method for producing purified phenylenedioxydiacetic acids SUMITOMO CHEMICAL CO (JP) 2003-01-02 EP disclosed
EP-1026146-A2 A method for producing purified phenylenedioxydiacetic acids SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-08-09 EP disclosed