SCHEMBL9532499

SCHEMBL9532499

O=C(O)CCC(=O)C(Cc1nnn[nH]1)c1sccc1CCCCCCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 13/20 0.50
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CES1 P23141 3/20 0.38
NCEH1 Q6PIU2 1/20 0.38
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
PLA2G4A P47712 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
SCHEMBL9533019 0.90 LTB4R (0.37) LTB4RCYSLTR2CYSLTR1
SCHEMBL9532505 0.84 LTB4R (0.54) LTB4RMAPTRXFP1CES1NCEH1
SCHEMBL9532623 0.83 CYSLTR2 (0.48) LTB4RMAPTRXFP1CYSLTR2CYSLTR1
SCHEMBL9535430 0.73 CYSLTR2 (0.44) LTB4RCYSLTR2CYSLTR1
SCHEMBL9533860 0.69 CYSLTR2 (0.48) MAPTRXFP1CES1NCEH1CYSLTR2
SCHEMBL9534374 0.66 CYSLTR2 (0.68) LTB4RMAPTRXFP1CYSLTR2CYSLTR1
SCHEMBL9537456 0.66 LTB4R (0.58) LTB4RMAPTRXFP1CES1CYSLTR2
SCHEMBL9532869 0.65 CYSLTR2 (0.69) LTB4RMAPTRXFP1CYSLTR2CYSLTR1
SCHEMBL18956278 0.64 MEN1 (0.52)
SCHEMBL7819517 0.63 DAO (0.50) CES1NCEH1

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
EP-0528957-A4 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS 1993-05-05 EP disclosed
EP-0528957-A1 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-03 EP disclosed
WO-1991016889-A1 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-11-14 WO disclosed