SCHEMBL9492385

SCHEMBL9492385

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

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.46
PPARA Q07869 3/20 0.46
PPARD Q03181 2/20 0.46
LTB4R Q15722 8/20 0.45
LTB4R2 Q9NPC1 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
SCHEMBL9491471 0.89 LTB4R (0.47) PPARGPPARAPPARDLTB4RLTB4R2
SCHEMBL9491165 0.89 LTB4R (0.47) PPARGPPARAPPARDLTB4RLTB4R2
SCHEMBL9492158 0.84 LTB4R (0.42) LTB4R
SCHEMBL9495931 0.83 LTB4R (0.51) PPARGPPARAPPARDLTB4RLTB4R2
SCHEMBL8081126 0.81 MEN1 (0.57) PPARGPPARAPPARDLTB4RLTB4R2
SCHEMBL8072236 0.81 MEN1 (0.57) PPARGPPARAPPARDLTB4RLTB4R2
SCHEMBL8081517 0.81 MEN1 (0.57) PPARGPPARAPPARDLTB4RLTB4R2
SCHEMBL8080247 0.81 MEN1 (0.57) PPARGPPARAPPARDLTB4RLTB4R2
SCHEMBL8081501 0.81 MEN1 (0.57) PPARGPPARAPPARDLTB4RLTB4R2
SCHEMBL10803242 0.81 MEN1 (0.57) PPARGPPARAPPARDLTB4RLTB4R2

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