SCHEMBL9503341

SCHEMBL9503341

O=C(O)CCOC(c1ncccc1CCCCCCCCc1ccccc1)C(O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.49
CYSLTR1 Q9Y271 4/20 0.49
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
FFAR1 O14842 2/20 0.43
TBXAS1 P24557 5/20 0.41
DAGLA Q9Y4D2 5/20 0.40
FAAH O00519 4/20 0.40
CES1 P23141 4/20 0.40
S1PR1 P21453 1/20 0.40

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
SCHEMBL9505459 0.80 CYSLTR2 (0.71) CYSLTR2CYSLTR1MAPTRXFP1TBXAS1
SCHEMBL9504617 0.77 CYSLTR2 (0.55) CYSLTR2CYSLTR1MAPTRXFP1DAGLA
SCHEMBL9503364 0.73 CYSLTR2 (0.60) CYSLTR2CYSLTR1MAPTRXFP1FFAR1
SCHEMBL9501802 0.73 CYSLTR2 (0.46) CYSLTR2CYSLTR1MAPTRXFP1TBXAS1
SCHEMBL9502587 0.72 CYSLTR2 (0.49) CYSLTR2CYSLTR1MAPTRXFP1TBXAS1
SCHEMBL9505512 0.72 CYSLTR2 (0.70) CYSLTR2CYSLTR1MAPTRXFP1TBXAS1
SCHEMBL9485061 0.72 CYP1A2 (0.51) CYSLTR2CYSLTR1MAPTRXFP1FFAR1
SCHEMBL9503373 0.72 CYSLTR2 (0.47) CYSLTR2CYSLTR1DAGLAFAAHCES1
SCHEMBL9502590 0.72 CYSLTR2 (0.47) CYSLTR2CYSLTR1DAGLAFAAH
SCHEMBL9501760 0.69 CYSLTR2 (0.48) CYSLTR2CYSLTR1DAGLAFAAHCES1

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 claimed
WO-1992005156-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-04-02 WO claimed