SCHEMBL3474963

SCHEMBL3474963

O=C(O)c1cccc(C(=O)OC(=O)c2cc(C(=O)O)ccc2C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
HSD17B10 Q99714 3/20 0.46
CDC25A P30304 1/20 0.46
CDC25B P30305 1/20 0.46
PTPN1 P18031 1/20 0.44
POLB P06746 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
AKR1C3 P42330 3/20 0.42
MYC P01106 1/20 0.42
AKR1C2 P52895 2/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41

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
Isophthalic Acid SCHEMBL19579513 0.95 KDM4E (0.56) KDM4EHSD17B10CDC25ACDC25BPTPN1
SCHEMBL8650117 0.95 KDM4E (0.59) KDM4EHSD17B10CDC25ACDC25BPTPN1
Terephthalic Acid SCHEMBL11525440 0.93 KDM4E (0.50) KDM4EHSD17B10CDC25ACDC25BPTPN1
SCHEMBL2174840 0.92 KDM4E (0.60) KDM4EHSD17B10CDC25ACDC25BPTPN1
Isophthalic Acid SCHEMBL11316284 0.90 KDM4E (0.56) KDM4EHSD17B10CDC25ACDC25BPTPN1
SCHEMBL2933984 0.88 KDM4E (0.53) KDM4EHSD17B10CDC25ACDC25BPTPN1
SCHEMBL4842453 0.87 CDC25A (0.59) KDM4EHSD17B10CDC25ACDC25BPOLB
SCHEMBL3693858 0.86 KDM4E (0.61) KDM4EHSD17B10CDC25ACDC25BPTPN1
SCHEMBL6853171 0.86 KDM4E (0.61) KDM4EHSD17B10CDC25ACDC25BPTPN1
SCHEMBL29436298 0.86 KDM4E (0.50) KDM4EHSD17B10CDC25ACDC25BPTPN1

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-2648045-B1 Toner, image forming method, and process cartridge RICOH CO LTD (JP) 2015-10-14 EP disclosed
US-20100293723-A1 CLEANING COMPOSITIONS AND METHODS FOR USING SAME EMINENT TECHNOLOGIES, LLC (US) 2010-11-25 US disclosed
EP-2167625-A1 CLEANING COMPOSITIONS AND METHODS FOR USING SAME Racette, Timothy L. (US) 2010-03-31 EP disclosed
WO-2008154394-A1 CLEANING COMPOSITIONS AND METHODS FOR USING SAME RACETTE TIMOTHY L (US) 2008-12-18 WO disclosed