SCHEMBL9504601

SCHEMBL9504601

O=C(O)C(O)C(Sc1ccc(O)cc1)c1ncccc1OCCCCCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
TRPV1 Q8NER1 2/20 0.40
FAAH O00519 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
PPARG P37231 1/20 0.37
DPP4 P27487 1/20 0.36
PLA2G4B P0C869 1/20 0.35
PLA2G4A P47712 1/20 0.35
FFAR1 O14842 1/20 0.34

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
SCHEMBL9503364 0.81 CYSLTR2 (0.60) CYSLTR2CYSLTR1FFAR1
SCHEMBL9502590 0.80 CYSLTR2 (0.47) CYSLTR2CYSLTR1FAAHPLA2G4BPLA2G4A
SCHEMBL9427991 0.75 CYSLTR2 (0.64) CYSLTR2CYSLTR1TRPV1DPP4
SCHEMBL9503373 0.72 CYSLTR2 (0.47) CYSLTR2CYSLTR1FAAH
SCHEMBL9856081 0.71 CYSLTR2 (0.49) CYSLTR2CYSLTR1FAAHPLA2G4BPLA2G4A
SCHEMBL9855785 0.71 CYSLTR2 (0.49) CYSLTR2CYSLTR1FAAHPLA2G4BPLA2G4A
SCHEMBL9504617 0.71 CYSLTR2 (0.55) CYSLTR2CYSLTR1FAAH
SCHEMBL9505459 0.69 CYSLTR2 (0.71) CYSLTR2CYSLTR1
SCHEMBL9856321 0.68 CYSLTR2 (0.45) CYSLTR2CYSLTR1PLA2G4B
SCHEMBL8882396 0.67 ASPH (0.50) CYSLTR2CYSLTR1PLA2G4BFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548291-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-30 EP disclosed
WO-1992005156-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-04-02 WO disclosed