SCHEMBL7928192

SCHEMBL7928192

O=C(O)COc1ccccc1OCC(=O)O.O=C(O)c1ccc2ccccc2c1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 3/20 0.63
HPGD P15428 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
CTSD P07339 1/20 0.51
POLB P06746 2/20 0.50
GLA P06280 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
WDR5 P61964 1/20 0.49
LDHA P00338 1/20 0.47
TRPM4 Q8TD43 1/20 0.47
PTPN7 P35236 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
HTT P42858 1/20 0.44
G6PD P11413 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
MEN1 O00255 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
SCHEMBL28683873 0.87 WDR5 (0.53) KDM4EALDH1A1HPGDTDP1CTSD
SCHEMBL6562825 0.85 ALDH1A1 (0.66) KDM4EALDH1A1HPGDTDP1CTSD
SCHEMBL33850 0.83 WDR5 (0.68) KDM4EALDH1A1HPGDGLAWDR5
SCHEMBL29376013 0.83 WDR5 (0.68) KDM4EALDH1A1HPGDGLAWDR5
Benzene SCHEMBL27549874 0.83 WDR5 (0.68) KDM4EALDH1A1HPGDGLAWDR5
SCHEMBL27804512 0.83 WDR5 (0.68) KDM4EALDH1A1HPGDGLAWDR5
Succinic Acid SCHEMBL8896782 0.82 WDR5 (0.58) KDM4EALDH1A1HPGDTDP1POLB
Ammonia Solution, Strong SCHEMBL8803959 0.81 WDR5 (0.66) KDM4EALDH1A1HPGDGLAWDR5
SCHEMBL964273 0.81 WDR5 (0.66) KDM4EALDH1A1HPGDGLAWDR5
SCHEMBL4577224 0.81 WDR5 (0.66) KDM4EALDH1A1HPGDGLAWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6254950-B1 BLEND WITH POLYETHYLENE TEREPHTHALATE AND NAPHTHALATE, POLYBUTYLENE AND POLYTRIMETHYLENE TEREPHTHALATE, AND/OR POLYBUTYLENE NAPHTHALATE; PACKAGING EASTMAN CHEMICAL COMPANY 2001-07-03 US disclosed
EP-1088033-A1 POLYESTER / PHENYLENEDI (OXYACETIC ACID) COPOLYESTER BLENDS HAVING IMPROVED GAS BARRIER PROPERTIES EASTMAN CHEMICAL COMPANY (US) 2001-04-04 EP disclosed
WO-1999065988-A1 POLYESTER / PHENYLENEDI (OXYACETIC ACID) COPOLYESTER BLENDS HAVING IMPROVED GAS BARRIER PROPERTIES EASTMAN CHEMICAL COMPANY (US) 1999-12-23 WO disclosed