SCHEMBL8798963

SCHEMBL8798963

COC(=O)CCc1c(CCCCCCOS(C)(=O)=O)cccc1OCC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 17/20 0.48
LTB4R2 Q9NPC1 11/20 0.48
PPARD Q03181 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C9 P11712 1/20 0.41

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
SCHEMBL9118392 0.93 LTB4R (0.54) LTB4RLTB4R2CYP2C9
SCHEMBL8800004 0.93 LTB4R (0.54) LTB4RLTB4R2CYP2C9
SCHEMBL8802026 0.93 LTB4R (0.54) LTB4RLTB4R2CYP2C9
SCHEMBL8466646 0.93 LTB4R (0.52) LTB4RLTB4R2CYP2C9
SCHEMBL8799337 0.93 LTB4R (0.54) LTB4RLTB4R2CYP2C9
SCHEMBL8800165 0.93 LTB4R (0.54) LTB4RLTB4R2CYP2C9
SCHEMBL9118199 0.89 LTB4R (0.48) LTB4RLTB4R2CYP2C9
SCHEMBL9118536 0.87 LTB4R (0.43) LTB4RLTB4R2ALDH1A1
SCHEMBL8799461 0.86 LTB4R (0.48) LTB4RLTB4R2PPARDALDH1A1CYP2C9
SCHEMBL9119390 0.85 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