SCHEMBL5378258

SCHEMBL5378258

CCCCCC(O)O.O=C(O)CCCCC(=O)OC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.44
FFAR4 Q5NUL3 1/20 0.42
FFAR1 O14842 1/20 0.42
PPARG P37231 2/20 0.40
PPARA Q07869 1/20 0.40
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PLA2G4B P0C869 1/20 0.39
PTPN11 Q06124 1/20 0.38

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 SCHEMBL5951008 0.89 FFAR4 (0.51) LTB4RFFAR4FFAR1PPARGPPARA
SCHEMBL28276792 0.85 HDAC3 (0.45) LTB4RPPARA
SCHEMBL5951005 0.83 LTB4R (0.45) LTB4RFFAR4FFAR1PPARGPPARA
Isophthalic Acid SCHEMBL3877625 0.83 PLA2G4B (0.48) LTB4RPLA2G4BPTPN11
SCHEMBL28049554 0.82 LMNA (0.50) LTB4R
Adipic Acid SCHEMBL8967488 0.82 LTB4R (0.47) LTB4RFFAR4FFAR1PTGER1PTGER4
Ethylene Glycol SCHEMBL28246774 0.81 HDAC3 (0.41) LTB4RPPARA
Isophthalic Acid SCHEMBL2421564 0.81 LTB4R (0.45) LTB4RFFAR4FFAR1
Isophthalic Acid SCHEMBL29897950 0.81 PLA2G4B (0.50) LTB4RPLA2G4BPTPN11
SCHEMBL7691875 0.81 CA12 (0.44)

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
US-8960878-B2 Ink jet ink, ink jet recording method, and ink cartridge CANON KABUSHIKI KAISHA (JP) 2015-02-24 US disclosed
US-7176248-B2 Using a pigment oxidatively treated on its surface to produce a bonded functional group e.g., carbonyl, carboxyl, hydroxyl, sulfo, a blend of acid-containing polyurethanes and water; low viscosity; dispersion and ejection stable; good color on plain paper; antisoilants; waterproofing; optical density E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-13 US disclosed
EP-1465956-A1 SMEAR RESISTANT INKJET INKS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-10-13 EP disclosed
US-20030184629-A1 Smear resistant inkjet inks DUPONT ELECTRONICS, INC. 2003-10-02 US disclosed
WO-2003062331-A1 SMEAR RESISTANT INKJET INKS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-07-31 WO disclosed