SCHEMBL9504617

SCHEMBL9504617

O=C(O)CSC(c1ncccc1CCCCCCCCc1ccccc1)C(O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 5/20 0.55
CYSLTR1 Q9Y271 5/20 0.55
BID P55957 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BAK1 Q16611 1/20 0.41
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
DAGLA Q9Y4D2 4/20 0.39
TRPA1 O75762 1/20 0.38
FAAH O00519 4/20 0.37
CES1 P23141 2/20 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
SCHEMBL9505459 0.89 CYSLTR2 (0.71) CYSLTR2CYSLTR1MAPTRXFP1DAGLA
SCHEMBL9501802 0.85 CYSLTR2 (0.46) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9301491 0.82 CYSLTR2 (0.78) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9503373 0.81 CYSLTR2 (0.47) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9502590 0.81 CYSLTR2 (0.47) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9502587 0.80 CYSLTR2 (0.49) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9502631 0.80 CYSLTR2 (0.44) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9503364 0.78 CYSLTR2 (0.60) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9503341 0.77 CYSLTR2 (0.49) CYSLTR2CYSLTR1MAPTRXFP1DAGLA
SCHEMBL9501760 0.76 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 disclosed
WO-1992005156-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-04-02 WO disclosed