SCHEMBL9118918

SCHEMBL9118918

CCCc1c(OS(=O)(=O)C(F)(F)F)ccc2c1OCCC2=O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 12/20 0.57
▸ LTB4R2 Q9NPC1 12/20 0.57
▸ DRD2 P14416 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ DRD3 P35462 1/20 0.36

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
SCHEMBL23882933 0.78 MAPT (0.43) LTB4RLTB4R2DRD2
SCHEMBL9122715 0.73 LTB4R (0.75) LTB4RLTB4R2
SCHEMBL9120331 0.72 LTB4R (0.56) LTB4RLTB4R2
SCHEMBL30251527 0.72 LTB4R (0.56) LTB4RLTB4R2
SCHEMBL23905925 0.72 LTB4R (0.59) LTB4RLTB4R2
SCHEMBL30251093 0.71 LTB4R (0.58) LTB4RLTB4R2
SCHEMBL23882677 0.71 LTB4R (0.58) LTB4RLTB4R2
SCHEMBL9124055 0.70 LTB4R (0.78) LTB4RLTB4R2
SCHEMBL9121352 0.68 LTB4R (0.89) LTB4RLTB4R2
SCHEMBL551972 0.68 MAOB (0.55) —

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
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