SCHEMBL8973086

SCHEMBL8973086

CCCCCCCCCCS(=O)(=O)NC(CCCCCCCCCCCCc1ccccc1)COP(=O)(O)OCCOCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.40
CETP P11597 3/20 0.40
PLA2G2A P14555 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
S1PR4 O95977 2/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
S1PR2 O95136 1/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR3 Q9UBY5 2/20 0.38
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL8972054 0.97 CETP (0.40) TLR2CETPPLA2G2AL3MBTL1LPAR1
SCHEMBL8732993 0.87 CETP (0.40) CETPS1PR4S1PR1S1PR3S1PR2
SCHEMBL8729241 0.87 CETP (0.40) CETPS1PR4S1PR1S1PR3S1PR2
SCHEMBL8733002 0.87 CETP (0.40) CETPS1PR4S1PR1S1PR3S1PR2
SCHEMBL8972694 0.85 CETP (0.50) CETPLPAR1LPAR3
SCHEMBL8973335 0.85 CETP (0.50) CETPLPAR1LPAR3
SCHEMBL8972562 0.85 CETP (0.50) CETPLPAR1LPAR3
SCHEMBL8728138 0.84 CETP (0.41) CETPS1PR4S1PR1S1PR3S1PR2
SCHEMBL8733228 0.83 CETP (0.52) CETPS1PR4S1PR1S1PR3S1PR2
SCHEMBL8733051 0.83 CETP (0.43) CETPLPAR1LPAR3

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-0701561-A1 DESOXYAZAPHOSPHOLIPID DERIVATIVES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2 LABORATORIOS MENARINI S.A. (ES) 1996-03-20 EP disclosed
WO-1994028004-A1 DESOXYAZAPHOSPHOLIPID DERIVATIVES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2 LABORATORIOS MENARINI S.A. (ES) 1994-12-08 WO disclosed