SCHEMBL8799505

SCHEMBL8799505

COC(=O)CCCOc1ccc(CC(OCCCCCOS(C)(=O)=O)C(=O)OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.43
ITGA2B P08514 5/20 0.43
PPARG P37231 10/20 0.42
PPARA Q07869 8/20 0.42
PPARD Q03181 8/20 0.40
LTA4H P09960 2/20 0.39

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
SCHEMBL9119163 0.87 PPARG (0.43) ITGB3ITGA2BPPARGPPARAPPARD
SCHEMBL9119824 0.86 MAPK1 (0.39) PPARGPPARALTA4H
SCHEMBL9121439 0.82 MEN1 (0.43) PPARGPPARAPPARD
SCHEMBL8466647 0.80 CYP4F2 (0.37) PPARGPPARA
SCHEMBL8802031 0.78 CYP4F2 (0.40) PPARGPPARA
SCHEMBL8800010 0.78 CYP4F2 (0.40) PPARGPPARA
SCHEMBL8799349 0.78 CYP4F2 (0.40) PPARGPPARA
SCHEMBL8800173 0.78 CYP4F2 (0.40) PPARGPPARA
SCHEMBL9118405 0.78 CYP4F2 (0.40) PPARGPPARA
SCHEMBL5991826 0.78 PPARA (0.63) ITGB3ITGA2BPPARGPPARAPPARD

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
EP-0755381-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B 4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-01-29 EP disclosed
WO-1995028386-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-10-26 WO disclosed
US-5434186-A Antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1995-07-18 US disclosed
US-5273999-A A 4-keto-boroalkyleneoxychroman or 2,3-dihydrobenzofuran derivative HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
EP-0531823-A1 Bicyclic carboxylic acid derivatives as anti-inflammatory agents F. HOFFMANN-LA ROCHE AG (CH) 1993-03-17 EP disclosed