SCHEMBL9502631

SCHEMBL9502631

O=C(O)c1ccc(CSC(c2ncccc2CCCCCCCCc2ccccc2)C(O)C(=O)O)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.44
CYSLTR1 Q9Y271 4/20 0.44
LPL P06858 1/20 0.38
LIPC P11150 1/20 0.38
RARB P10826 1/20 0.36
BID P55957 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
BAK1 Q16611 1/20 0.36
FAAH O00519 4/20 0.35
PLA2G4B P0C869 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
POLB P06746 1/20 0.33
AGTR1 P30556 1/20 0.33

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
SCHEMBL9364855 0.86 CYSLTR2 (0.60) CYSLTR2CYSLTR1LPLLIPCRARB
SCHEMBL9364859 0.86 CYSLTR2 (0.60) CYSLTR2CYSLTR1LPLLIPCRARB
SCHEMBL9505519 0.82 CYSLTR2 (0.45) CYSLTR2CYSLTR1LPLLIPCRARB
SCHEMBL9502590 0.80 CYSLTR2 (0.47) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9504617 0.80 CYSLTR2 (0.55) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9505459 0.78 CYSLTR2 (0.71) CYSLTR2CYSLTR1
SCHEMBL9505516 0.77 CYSLTR2 (0.39) CYSLTR2CYSLTR1LPLLIPCRARB
SCHEMBL9364004 0.77 CYSLTR2 (0.56) CYSLTR2CYSLTR1LPLLIPCFAAH
SCHEMBL9364008 0.77 CYSLTR2 (0.56) CYSLTR2CYSLTR1LPLLIPCFAAH
SCHEMBL9503373 0.74 CYSLTR2 (0.47) CYSLTR2CYSLTR1BIDBCL2L1MCL1

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