SCHEMBL9491165

SCHEMBL9491165

CCCCCCCCCCOc1ccc(CCOc2ccccc2CC(=O)O)nc1C=CCO

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 10/20 0.47
PPARG P37231 9/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
LTB4R2 Q9NPC1 1/20 0.40

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
SCHEMBL9491471 0.92 LTB4R (0.47) LTB4RPPARGPPARDPPARALTB4R2
SCHEMBL9492385 0.89 PPARG (0.46) LTB4RPPARGPPARDPPARALTB4R2
SCHEMBL9490804 0.86 LTB4R (0.58) LTB4R
SCHEMBL9490866 0.85 LTB4R (0.44) LTB4R
SCHEMBL9493047 0.82 LTB4R (0.48) LTB4R
SCHEMBL9495931 0.80 LTB4R (0.51) LTB4RPPARGPPARDPPARALTB4R2
SCHEMBL8072236 0.78 MEN1 (0.57) LTB4RPPARGPPARDPPARALTB4R2
SCHEMBL8081517 0.78 MEN1 (0.57) LTB4RPPARGPPARDPPARALTB4R2
SCHEMBL8080247 0.78 MEN1 (0.57) LTB4RPPARGPPARDPPARALTB4R2
SCHEMBL8081126 0.78 MEN1 (0.57) LTB4RPPARGPPARDPPARALTB4R2

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-0532634-A1 PHTHALAMIC ACIDS AND THEIR ISOMERS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-03-24 EP disclosed
EP-0532550-A1 BENZOIC ACID DERIVATIVES FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-03-24 EP disclosed
WO-1991018880-A1 BENZOIC ACID DERIVATIVES FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed
WO-1991018879-A1 PHTHALAMIC ACIDS AND THEIR ISOMERS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed