SCHEMBL9121352

SCHEMBL9121352

CCCc1c(OCCCCCOc2cccc(OCCCCC(=O)O)c2CCC(=O)O)ccc2c1OCCC2=O

nearest known ligand 0.89

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 18/20 0.89
▸ LTB4R2 Q9NPC1 17/20 0.89
▸ CYSLTR2 Q9NS75 2/20 0.43
▸ CYSLTR1 Q9Y271 2/20 0.43

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
SCHEMBL9121929 0.94 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9122607 0.94 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9120828 0.94 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9119895 0.94 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9122551 0.94 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9119706 0.93 LTB4R (0.98) LTB4RLTB4R2
SCHEMBL9119715 0.93 LTB4R (0.98) LTB4RLTB4R2
SCHEMBL9120851 0.93 LTB4R (0.95) LTB4RLTB4R2
SCHEMBL9122293 0.92 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9121228 0.92 LTB4R (0.90) LTB4RLTB4R2

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