SCHEMBL9505512

SCHEMBL9505512

O=C(O)CCSC(CC(=O)O)c1ncccc1CCCCCCCCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 14/20 0.70
CYSLTR1 Q9Y271 14/20 0.70
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TBXAS1 P24557 2/20 0.41

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
SCHEMBL9501467 0.90 CYSLTR2 (0.57) CYSLTR2CYSLTR1
SCHEMBL9505459 0.83 CYSLTR2 (0.71) CYSLTR2CYSLTR1MAPTRXFP1TBXAS1
SCHEMBL9155567 0.82 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9155578 0.82 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9502587 0.82 CYSLTR2 (0.49) CYSLTR2CYSLTR1MAPTRXFP1TBXAS1
SCHEMBL9386199 0.81 CYSLTR2 (0.98) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9503345 0.80 CYSLTR2 (0.47) CYSLTR2CYSLTR1MAPTRXFP1ALDH1A1
SCHEMBL9536204 0.76 CYSLTR2 (0.68) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9534374 0.76 CYSLTR2 (0.68) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9501802 0.76 CYSLTR2 (0.46) CYSLTR2CYSLTR1MAPTRXFP1TBXAS1

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