SCHEMBL8799767

SCHEMBL8799767

CCOC(=O)CCCCOc1ccccc1CC(OCCCCCOS(C)(=O)=O)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
DHFR P00374 1/20 0.38
PPARA Q07869 1/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
ESR2 Q92731 1/20 0.36
PPARD Q03181 1/20 0.35
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NAMPT P43490 1/20 0.35
TBXAS1 P24557 1/20 0.35
P2RY10 O00398 3/20 0.35
GPR34 Q9UPC5 1/20 0.35

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
SCHEMBL9119398 0.88 CYP4F2 (0.45) PPARGCYP4F2CYP4A11DHFRPPARA
SCHEMBL9118405 0.82 CYP4F2 (0.40) PPARGCYP4F2CYP4A11PPARALTB4R
SCHEMBL8802031 0.82 CYP4F2 (0.40) PPARGCYP4F2CYP4A11PPARALTB4R
SCHEMBL8799349 0.82 CYP4F2 (0.40) PPARGCYP4F2CYP4A11PPARALTB4R
SCHEMBL8800173 0.82 CYP4F2 (0.40) PPARGCYP4F2CYP4A11PPARALTB4R
SCHEMBL8800010 0.82 CYP4F2 (0.40) PPARGCYP4F2CYP4A11PPARALTB4R
SCHEMBL8466647 0.81 CYP4F2 (0.37) PPARGCYP4F2CYP4A11PPARALTB4R
SCHEMBL8799756 0.78 PPARG (0.44) PPARGCYP4F2CYP4A11DHFRPPARA
SCHEMBL9121439 0.76 MEN1 (0.43) PPARGPPARAPPARDALDH1A1
SCHEMBL9118208 0.75 PTGS2 (0.33) PPARGCYP4F2CYP4A11PPARAALDH1A1

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-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
EP-0531823-A1 Bicyclic carboxylic acid derivatives as anti-inflammatory agents F. HOFFMANN-LA ROCHE AG (CH) 1993-03-17 EP disclosed