SCHEMBL9503364

SCHEMBL9503364

O=C(O)CCSC(c1ncccc1OCCCCCCCc1ccccc1)C(O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 10/20 0.60
CYSLTR1 Q9Y271 10/20 0.60
FFAR1 O14842 2/20 0.42
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
S1PR5 Q9H228 2/20 0.40
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 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 0.89 CYSLTR2 (0.71) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9504601 0.81 CYSLTR2 (0.41) CYSLTR2CYSLTR1FFAR1
SCHEMBL9504617 0.78 CYSLTR2 (0.55) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL10482240 0.75 CYSLTR2 (1.00) CYSLTR2CYSLTR1
Pobilukast SCHEMBL29473536 0.74 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
Pobilukast SCHEMBL6437479 0.74 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9560172 0.74 CYSLTR2 (0.73) CYSLTR2CYSLTR1MAPTRXFP1
Pobilukast SCHEMBL125952 0.74 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9534035 0.74 CYSLTR2 (0.59) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9534048 0.74 CYSLTR2 (0.59) CYSLTR2CYSLTR1MAPTRXFP1

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