SCHEMBL10448754

SCHEMBL10448754

O=C(O)CCSCC(C(=O)O)c1ccccc1OCCCCCCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 10/20 0.69
CYSLTR1 Q9Y271 10/20 0.69
FFAR1 O14842 2/20 0.46
PLA2G4B P0C869 1/20 0.46
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
S1PR1 P21453 3/20 0.43
S1PR5 Q9H228 2/20 0.43
S1PR3 Q99500 1/20 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
SCHEMBL10482240 0.81 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL9559866 0.79 CYSLTR2 (0.77) CYSLTR2CYSLTR1FFAR1MAPTRXFP1
SCHEMBL10815496 0.76 CYSLTR2 (0.67) CYSLTR2CYSLTR1FFAR1MAPTRXFP1
SCHEMBL10482208 0.74 CYSLTR2 (0.64) CYSLTR2CYSLTR1FFAR1MAPTRXFP1
SCHEMBL10482210 0.74 CYSLTR2 (0.63) CYSLTR2CYSLTR1FFAR1PLA2G4BMAPT
SCHEMBL9244930 0.73 MAPT (0.54) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9244921 0.73 MAPT (0.54) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL10482137 0.68 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL10482248 0.68 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL27588900 0.68 FFAR1 (0.69) CYSLTR2CYSLTR1FFAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358240-A2 Intermediates for the preparation of leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-03-14 EP disclosed