SCHEMBL9501760

SCHEMBL9501760

COC(=O)CCSC(c1ncccc1CCCCCCCCc1ccccc1)C(O)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 6/20 0.48
CYSLTR1 Q9Y271 6/20 0.48
FAAH O00519 4/20 0.39
CES1 P23141 1/20 0.38
LPAR1 Q92633 3/20 0.37
DAGLA Q9Y4D2 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
SCHEMBL9503905 0.85 CYSLTR2 (0.67) CYSLTR2CYSLTR1LPAR1
SCHEMBL9430241 0.85 CYSLTR2 (0.67) CYSLTR2CYSLTR1LPAR1
SCHEMBL9501467 0.83 CYSLTR2 (0.57) CYSLTR2CYSLTR1FAAHCES1DAGLA
SCHEMBL9505459 0.82 CYSLTR2 (0.71) CYSLTR2CYSLTR1DAGLA
SCHEMBL8925768 0.78 CYSLTR2 (0.78) CYSLTR2CYSLTR1
SCHEMBL10440237 0.77 CYSLTR2 (0.48) CYSLTR2CYSLTR1CES1LPAR1
SCHEMBL9560059 0.77 CYSLTR2 (0.57) CYSLTR2CYSLTR1
SCHEMBL9357210 0.77 CYSLTR2 (0.66) CYSLTR2CYSLTR1
SCHEMBL9559947 0.76 CYSLTR2 (0.55) CYSLTR2CYSLTR1
SCHEMBL9560002 0.76 CYSLTR2 (0.58) 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