SCHEMBL8799756

SCHEMBL8799756

CCOC(=O)CCCCOc1cccc(OCCCCCOS(C)(=O)=O)c1CCC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.44
LTB4R Q15722 3/20 0.41
LTB4R2 Q9NPC1 2/20 0.41
CNR2 P34972 8/20 0.41
CNR1 P21554 7/20 0.41
PPARA Q07869 2/20 0.40
TBXAS1 P24557 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
F2RL3 Q96RI0 1/20 0.39
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DHFR P00374 1/20 0.37

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
SCHEMBL9119385 0.87 CNR2 (0.48) PPARGLTB4RLTB4R2CNR2CNR1
SCHEMBL9118392 0.86 LTB4R (0.54) PPARGLTB4RLTB4R2
SCHEMBL8799337 0.86 LTB4R (0.54) PPARGLTB4RLTB4R2
SCHEMBL8802026 0.86 LTB4R (0.54) PPARGLTB4RLTB4R2
SCHEMBL8800165 0.86 LTB4R (0.54) PPARGLTB4RLTB4R2
SCHEMBL8800004 0.86 LTB4R (0.54) PPARGLTB4RLTB4R2
SCHEMBL6926638 0.86 LTB4R (0.48) PPARGLTB4RLTB4R2
SCHEMBL6755870 0.84 PPARG (0.39) PPARGLTB4RLTB4R2CNR2CNR1
SCHEMBL8466646 0.84 LTB4R (0.52) LTB4RLTB4R2
SCHEMBL8569884 0.83 CNR2 (0.54) PPARGLTB4RLTB4R2CNR2CNR1

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