SCHEMBL9504619

SCHEMBL9504619

COC(=O)c1ccc(SC(c2ncccc2SCCCCCCCc2ccccc2)C(O)C(=O)OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.41
PLA2G4B P0C869 2/20 0.40
PLA2G4A P47712 1/20 0.40
PLA2G2A P14555 1/20 0.39
CES1 P23141 2/20 0.37
MGLL Q99685 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
PKM P14618 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RGS12 O14924 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KDM5B Q9UGL1 1/20 0.35
GLS O94925 1/20 0.35

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
SCHEMBL9357158 0.77 CYSLTR2 (0.48) FAAHCES1MGLLCYP4F2CYP4A11
SCHEMBL9357156 0.77 CYSLTR2 (0.48) FAAHCES1MGLLCYP4F2CYP4A11
SCHEMBL9501796 0.73 PLA2G4B (0.41) PLA2G4BPLA2G4APLA2G2AALDH1A1SMN1; SMN2
SCHEMBL9504626 0.72 NPC1 (0.43) FAAHPLA2G4BPLA2G4APLA2G2AALDH1A1
SCHEMBL9503595 0.71 CYSLTR2 (0.57) FAAHCES1MGLLCYP4F2CYP4A11
SCHEMBL9502590 0.71 CYSLTR2 (0.47) FAAHPLA2G4BPLA2G4APLA2G2A
SCHEMBL9501760 0.70 CYSLTR2 (0.48) FAAHCES1
SCHEMBL9356626 0.69 CYSLTR2 (0.48) FAAHCES1MGLLCYP4F2CYP4A11
SCHEMBL9369239 0.69 CYSLTR2 (0.48) FAAHCES1MGLLCYP4F2CYP4A11
SCHEMBL9429346 0.69 CYSLTR2 (0.43) FAAHCES1MGLLCYP4F2CYP4A11

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