SCHEMBL9119183

SCHEMBL9119183

COC(=O)CCCCOc1cccc(CCCCCCO)c1CCC(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 16/20 0.58
LTB4R2 Q9NPC1 12/20 0.58
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
CYP2C9 P11712 1/20 0.46
PPARG P37231 1/20 0.46

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
SCHEMBL9119413 1.00 LTB4R (0.58) LTB4RLTB4R2CNR1CNR2CYP2C9
SCHEMBL9121682 1.00 LTB4R (0.58) LTB4RLTB4R2CNR1CNR2CYP2C9
SCHEMBL9121586 1.00 LTB4R (0.58) LTB4RLTB4R2CNR1CNR2CYP2C9
SCHEMBL9119987 1.00 LTB4R (0.58) LTB4RLTB4R2CNR1CNR2CYP2C9
SCHEMBL8463994 0.96 LTB4R (0.54) LTB4RLTB4R2CNR1CNR2CYP2C9
SCHEMBL9444467 0.94 LTB4R (0.67) LTB4RLTB4R2CYP2C9
SCHEMBL9122175 0.91 LTB4R (0.52) LTB4RLTB4R2CNR1CNR2CYP2C9
SCHEMBL6760695 0.89 LTB4R (0.57) LTB4RLTB4R2CYP2C9PPARG
SCHEMBL9122731 0.89 LTB4R (0.48) LTB4RLTB4R2CYP2C9
SCHEMBL8799670 0.89 LTB4R (0.50) LTB4RLTB4R2CNR1CNR2CYP2C9

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