SCHEMBL4619018

SCHEMBL4619018

O=C(O)c1ccccc1/C=C/c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 1/20 0.48
GRIK1 P39086 1/20 0.48
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA3 P42263 1/20 0.48
GRIA4 P48058 1/20 0.48
GRIK2 Q13002 1/20 0.48
GRIK3 Q13003 1/20 0.48
AKR1C3 P42330 1/20 0.44
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
TRPA1 O75762 2/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL114584 0.89 PTPN1 (0.49) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL70202 0.88 ALDH1A1 (0.62) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL70201 0.88 ALDH1A1 (0.62) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL8902281 0.88 ALDH1A1 (0.62) ALDH1A1ALOX15GRIK1GRIA1GRIA2
Hydrochloric Acid SCHEMBL894924 0.87 PTPN1 (0.47) ALDH1A1ALOX15GRIK1GRIA1GRIA2
Hydrochloric Acid SCHEMBL9622267 0.87 PTPN1 (0.47) ALDH1A1ALOX15GRIK1GRIA1GRIA2
SCHEMBL7616189 0.81 MAPT (0.53) ALDH1A1AKR1C3CYP1A2HPGDSMN1; SMN2
SCHEMBL7925836 0.81 MAPT (0.53) ALDH1A1AKR1C3CYP1A2HPGDSMN1; SMN2
SCHEMBL8640255 0.80 PTPN1 (0.54) ALDH1A1ALOX15AKR1C3NR4A1NR4A2
SCHEMBL11227663 0.80 ALDH1A1 (0.39) ALDH1A1ALOX15AKR1C3CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1890992-B1 AN ENRICHMENT PROCESS USING COMPOUNDS USEFUL IN A POLYESTER PROCESS GRUPO PETROTEMEX SA DE CV (MX) 2019-10-23 EP claimed
EP-1890992-A2 AN ENRICHMENT PROCESS USING COMPOUNDS USEFUL IN A POLYESTER PROCESS EASTMAN CHEMICAL COMPANY (US) 2008-02-27 EP claimed
WO-2006125158-A2 AN ENRICHMENT PROCESS USING COMPOUNDS USEFUL IN A POLYESTER PROCESS EASTMAN CHEMICAL COMPANY (US) 2006-11-23 WO claimed
US-20060264656-A1 Enrichment process using compounds useful in a polyester process FUJITSU LIMITED (JP) 2006-11-23 US claimed
EP-1890992-B1 AN ENRICHMENT PROCESS USING COMPOUNDS USEFUL IN A POLYESTER PROCESS GRUPO PETROTEMEX SA DE CV (MX) 2019-10-23 EP disclosed
EP-1890992-A2 AN ENRICHMENT PROCESS USING COMPOUNDS USEFUL IN A POLYESTER PROCESS EASTMAN CHEMICAL COMPANY (US) 2008-02-27 EP disclosed
WO-2006125158-A2 AN ENRICHMENT PROCESS USING COMPOUNDS USEFUL IN A POLYESTER PROCESS EASTMAN CHEMICAL COMPANY (US) 2006-11-23 WO disclosed
US-20060264656-A1 Enrichment process using compounds useful in a polyester process FUJITSU LIMITED (JP) 2006-11-23 US disclosed