SCHEMBL9537456

SCHEMBL9537456

O=C(O)CCOC(CC(=O)O)c1sccc1CCCCCCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 13/20 0.58
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYSLTR2 Q9NS75 2/20 0.45
CYSLTR1 Q9Y271 2/20 0.45
FFAR1 O14842 1/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL9536338 0.87 LTB4R (0.43) LTB4RCYSLTR2CYSLTR1
SCHEMBL9534374 0.77 CYSLTR2 (0.68) LTB4RMAPTRXFP1CYSLTR2CYSLTR1
SCHEMBL9532869 0.71 CYSLTR2 (0.69) LTB4RMAPTRXFP1CYSLTR2CYSLTR1
SCHEMBL9533405 0.70 LTB4R (0.45) LTB4RCYSLTR2CYSLTR1
SCHEMBL27314360 0.67 MAPT (0.72) LTB4RMAPTRXFP1CYSLTR2CYSLTR1
SCHEMBL9487508 0.67 MAPT (0.72) LTB4RMAPTRXFP1CYSLTR2CYSLTR1
SCHEMBL503837 0.66 MAPT (1.00) LTB4RMAPTRXFP1HDAC3MAPK1
SCHEMBL1008045 0.66 MAPT (1.00) LTB4RMAPTRXFP1HDAC3MAPK1
SCHEMBL1008757 0.66 MAPT (1.00) LTB4RMAPTRXFP1HDAC3MAPK1
SCHEMBL770290 0.66 MAPT (1.00) LTB4RMAPTRXFP1HDAC3MAPK1

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