SCHEMBL9502590

SCHEMBL9502590

O=C(O)c1ccc(SC(c2ncccc2CCCCCCCCc2ccccc2)C(O)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.47
CYSLTR1 Q9Y271 2/20 0.47
PLA2G4B P0C869 3/20 0.42
PLA2G4A P47712 1/20 0.42
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
PLA2G2A P14555 1/20 0.41
FAAH O00519 3/20 0.39
BID P55957 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
BAK1 Q16611 1/20 0.38
POLB P06746 1/20 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
SCHEMBL9364882 0.84 CYSLTR2 (0.62) CYSLTR2CYSLTR1PLA2G4BPLA2G4APTGER1
SCHEMBL9364884 0.84 CYSLTR2 (0.62) CYSLTR2CYSLTR1PLA2G4BPLA2G4APTGER1
SCHEMBL9503373 0.84 CYSLTR2 (0.47) CYSLTR2CYSLTR1FAAHBIDBCL2L1
SCHEMBL9504617 0.81 CYSLTR2 (0.55) CYSLTR2CYSLTR1FAAHBIDBCL2L1
SCHEMBL9502631 0.80 CYSLTR2 (0.44) CYSLTR2CYSLTR1PLA2G4BPTGER1PTGER4
SCHEMBL9504601 0.80 CYSLTR2 (0.41) CYSLTR2CYSLTR1PLA2G4BPLA2G4AFAAH
SCHEMBL9505459 0.79 CYSLTR2 (0.71) CYSLTR2CYSLTR1DAGLA
SCHEMBL9427991 0.74 CYSLTR2 (0.64) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9503595 0.73 CYSLTR2 (0.57) CYSLTR2CYSLTR1FAAH
SCHEMBL9428622 0.73 CYSLTR2 (0.69) CYSLTR2CYSLTR1PLA2G4BPTGER1PTGER4

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 4 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
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