SCHEMBL9119306

SCHEMBL9119306

COC(=O)CCCc1ccccc1OCCCCCBr

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.52
PPARG P37231 4/20 0.50
LTB4R Q15722 2/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
PPARA Q07869 2/20 0.45
CNR2 P34972 2/20 0.44
MAPT P10636 1/20 0.43
CNR1 P21554 1/20 0.42

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
SCHEMBL9122597 0.96 LTB4R (0.54) PPARDPPARGLTB4RLTB4R2PPARA
SCHEMBL9119104 0.95 PPARD (0.52) PPARDPPARGLTB4RLTB4R2PPARA
SCHEMBL31155910 0.94 PPARD (0.54) PPARDPPARGLTB4RLTB4R2CNR2
SCHEMBL31155865 0.93 PPARD (0.53) PPARDPPARGLTB4RLTB4R2PPARA
SCHEMBL25168679 0.89 PPARG (0.62) PPARDPPARGLTB4RLTB4R2PPARA
SCHEMBL3266929 0.89 PPARD (0.54) PPARDPPARGLTB4RLTB4R2PPARA
SCHEMBL31155854 0.89 PPARD (0.54) PPARDPPARGLTB4RLTB4R2PPARA
SCHEMBL28915626 0.86 PPARD (0.64) PPARDPPARGLTB4RLTB4R2PPARA
SCHEMBL8286477 0.86 PPARD (0.54) PPARDPPARGLTB4RLTB4R2CNR2
SCHEMBL31155848 0.85 PPARD (0.52) PPARDPPARGLTB4RLTB4R2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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