SCHEMBL9501467

SCHEMBL9501467

COC(=O)CCSC(CC(=O)O)c1ncccc1CCCCCCCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 12/20 0.57
CYSLTR1 Q9Y271 12/20 0.57
FAAH O00519 2/20 0.38
DAGLA Q9Y4D2 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL9505512 0.90 CYSLTR2 (0.70) CYSLTR2CYSLTR1
SCHEMBL9503586 0.85 CYSLTR2 (0.79) CYSLTR2CYSLTR1
SCHEMBL9501760 0.83 CYSLTR2 (0.48) CYSLTR2CYSLTR1FAAHDAGLACES1
SCHEMBL9561419 0.79 CYSLTR2 (0.70) CYSLTR2CYSLTR1
SCHEMBL9561482 0.79 CYSLTR2 (0.70) CYSLTR2CYSLTR1
SCHEMBL9502587 0.75 CYSLTR2 (0.49) CYSLTR2CYSLTR1DAGLA
SCHEMBL9503345 0.75 CYSLTR2 (0.47) CYSLTR2CYSLTR1FAAHDAGLA
SCHEMBL10435616 0.74 CYSLTR2 (0.50) CYSLTR2CYSLTR1
SCHEMBL9505459 0.73 CYSLTR2 (0.71) CYSLTR2CYSLTR1DAGLA
SCHEMBL9155567 0.73 CYSLTR2 (1.00) CYSLTR2CYSLTR1

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