SCHEMBL8799337

SCHEMBL8799337

COC(=O)CCCCCOc1cccc(CCCCCCOS(C)(=O)=O)c1CCC(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 19/20 0.54
LTB4R2 Q9NPC1 13/20 0.54
CYP2C9 P11712 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL8800004 1.00 LTB4R (0.54) LTB4RLTB4R2CYP2C9PPARG
SCHEMBL8802026 1.00 LTB4R (0.54) LTB4RLTB4R2CYP2C9PPARG
SCHEMBL8800165 1.00 LTB4R (0.54) LTB4RLTB4R2CYP2C9PPARG
SCHEMBL9118392 1.00 LTB4R (0.54) LTB4RLTB4R2CYP2C9PPARG
SCHEMBL8466646 0.98 LTB4R (0.52) LTB4RLTB4R2CYP2C9
SCHEMBL8798963 0.93 LTB4R (0.48) LTB4RLTB4R2CYP2C9
SCHEMBL9118536 0.92 LTB4R (0.43) LTB4RLTB4R2PPARG
SCHEMBL9118199 0.92 LTB4R (0.48) LTB4RLTB4R2CYP2C9
SCHEMBL8799461 0.89 LTB4R (0.48) LTB4RLTB4R2CYP2C9
SCHEMBL9119390 0.88 LTB4R (0.46) LTB4RLTB4R2CYP2C9

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