SCHEMBL8972054

SCHEMBL8972054

CCCCCCC(COP(=O)(O)OCCOCc1ccccc1)NS(=O)(=O)CCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.40
TLR2 O60603 2/20 0.40
PLA2G2A P14555 2/20 0.40
LPAR1 Q92633 2/20 0.39
LPAR3 Q9UBY5 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8973086 0.97 TLR2 (0.40) CETPTLR2PLA2G2ALPAR1LPAR3
SCHEMBL8728138 0.86 CETP (0.41) CETPLPAR1LPAR3
SCHEMBL8973335 0.84 CETP (0.50) CETPLPAR1LPAR3
SCHEMBL8972694 0.84 CETP (0.50) CETPLPAR1LPAR3
SCHEMBL8972562 0.84 CETP (0.50) CETPLPAR1LPAR3
SCHEMBL8729241 0.84 CETP (0.40) CETPLPAR1LPAR3
SCHEMBL8732993 0.84 CETP (0.40) CETPLPAR1LPAR3
SCHEMBL8733002 0.84 CETP (0.40) CETPLPAR1LPAR3
SCHEMBL8733051 0.81 CETP (0.43) CETPLPAR1LPAR3
SCHEMBL8733266 0.81 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 4 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 claimed
WO-1994028004-A1 DESOXYAZAPHOSPHOLIPID DERIVATIVES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2 LABORATORIOS MENARINI S.A. (ES) 1994-12-08 WO claimed
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