SCHEMBL9505519

SCHEMBL9505519

O=C(O)c1ccc(CSC(c2cccc(CCCCCCCCc3ccccc3)c2)C(O)C(=O)O)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.45
CYSLTR1 Q9Y271 3/20 0.45
RARB P10826 1/20 0.39
LPL P06858 1/20 0.39
LIPC P11150 1/20 0.39
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
PLA2G4B P0C869 1/20 0.36
FAAH O00519 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
BID P55957 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
BAK1 Q16611 1/20 0.34
LMNA P02545 1/20 0.34
HDAC1 Q13547 1/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 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
SCHEMBL9505516 0.90 CYSLTR2 (0.39) CYSLTR2CYSLTR1RARBLPLLIPC
SCHEMBL9364859 0.86 CYSLTR2 (0.60) CYSLTR2CYSLTR1RARBLPLLIPC
SCHEMBL9364855 0.86 CYSLTR2 (0.60) CYSLTR2CYSLTR1RARBLPLLIPC
SCHEMBL9502631 0.82 CYSLTR2 (0.44) CYSLTR2CYSLTR1RARBLPLLIPC
SCHEMBL9364008 0.77 CYSLTR2 (0.56) CYSLTR2CYSLTR1LPLLIPCFAAH
SCHEMBL9364004 0.77 CYSLTR2 (0.56) CYSLTR2CYSLTR1LPLLIPCFAAH
SCHEMBL9560172 0.76 CYSLTR2 (0.73) CYSLTR2CYSLTR1HDAC1
SCHEMBL9427841 0.74 CYSLTR2 (0.66) CYSLTR2CYSLTR1FAAHBIDBCL2L1
SCHEMBL9427834 0.74 CYSLTR2 (0.66) CYSLTR2CYSLTR1FAAHBIDBCL2L1
SCHEMBL9364032 0.72 CYSLTR2 (0.57) CYSLTR2CYSLTR1LMNAPDE4APDE4B

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