SCHEMBL9119385

SCHEMBL9119385

CCOC(=O)CCCCOc1cccc(OCCCCCO)c1CCC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.48
CNR1 P21554 7/20 0.48
PPARG P37231 2/20 0.47
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
LTB4R Q15722 2/20 0.44
LTB4R2 Q9NPC1 2/20 0.44
PPARA Q07869 1/20 0.43
F2RL3 Q96RI0 1/20 0.41
TBXAS1 P24557 1/20 0.39
DHFR P00374 1/20 0.39

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
SCHEMBL8569884 0.87 CNR2 (0.54) CNR2CNR1PPARGCYP4F2CYP4A11
SCHEMBL8799756 0.87 PPARG (0.44) CNR2CNR1PPARGCYP4F2CYP4A11
SCHEMBL9121586 0.85 LTB4R (0.58) CNR2CNR1PPARGLTB4RLTB4R2
SCHEMBL9121682 0.85 LTB4R (0.58) CNR2CNR1PPARGLTB4RLTB4R2
SCHEMBL9119987 0.85 LTB4R (0.58) CNR2CNR1PPARGLTB4RLTB4R2
SCHEMBL9119183 0.85 LTB4R (0.58) CNR2CNR1PPARGLTB4RLTB4R2
SCHEMBL9119413 0.85 LTB4R (0.58) CNR2CNR1PPARGLTB4RLTB4R2
SCHEMBL200784 0.84 LTB4R (0.55) CNR2CNR1CYP4F2CYP4A11LTB4R
SCHEMBL6755950 0.83 CNR1 (0.57) CNR2CNR1PPARGLTB4RLTB4R2
SCHEMBL6757559 0.83 PPARG (0.42) CNR2CNR1PPARGLTB4RLTB4R2

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