SCHEMBL7700358

SCHEMBL7700358

O=C(O)c1cccc(C(=O)OCOC(=O)c2cccc(C(=O)O)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA6 P23280 1/20 0.50
CA9 Q16790 1/20 0.50
FOLH1 Q04609 1/20 0.48
AKR1C3 P42330 1/20 0.48
KMO O15229 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 2/20 0.46
NR4A2 P43354 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
UNG P13051 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL11100762 0.94 TDP1 (0.52) TDP1CA12CA1CA2CA6
SCHEMBL9421257 0.88 TDP1 (0.62) TDP1CA12CA1CA2CA6
SCHEMBL6139473 0.86 TDP1 (0.50) TDP1CA12CA1CA2CA6
SCHEMBL209607 0.86 TDP1 (0.71) TDP1CA12CA1CA2CA6
SCHEMBL17978154 0.86 TDP1 (0.50) TDP1CA12CA1CA2CA6
SCHEMBL27574211 0.86 TDP1 (0.60) TDP1CA12CA1CA2CA6
SCHEMBL9436550 0.85 TDP1 (0.69) TDP1KMT2A
SCHEMBL557443 0.85 CYP2C9 (0.62) CA12CA1CA2CA9CYP2C9
SCHEMBL10867635 0.85 TDP1 (0.69) TDP1KMT2A
SCHEMBL212972 0.85 TDP1 (0.69) TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0105825-B1 MULTI-LAYER POLYISOPHTHALATE AND POLYTEREPHTHALATE ARTICLES AND PROCESS THEREFOR THE GOODYEAR TIRE & RUBBER COMPANY (US) 1987-11-04 EP claimed
EP-1189984-A1 BLENDS OF POLYESTER COPOLYMER AND ETHYLENE VINYL ACETATE WITH IMPROVED GAS BARRIER PROPERTIES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-03-27 EP disclosed
WO-2000075224-A1 BLENDS OF POLYESTER COPOLYMER AND ETHYLENE VINYL ACETATE WITH IMPROVED GAS BARRIER PROPERTIES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-12-14 WO disclosed
US-5434239-A Esterification, condensation polymerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-07-18 US disclosed