SCHEMBL8972929

SCHEMBL8972929

CCCCCCCCCCS(=O)(=O)NC(CCCCCC)CP(=O)(OC)OCCCC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.38
LPAR3 Q9UBY5 3/20 0.33
FDPS P14324 3/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
CYP3A4 P08684 1/20 0.33
SMPD1 P17405 3/20 0.31
PLA2G2C Q5R387 1/20 0.30

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
SCHEMBL8733471 0.80 PLA2G2A (0.43) PLA2G2AFDPS
SCHEMBL8730244 0.75 PLA2G2A (0.40) PLA2G2AFDPSSMPD1
SCHEMBL8973228 0.72 LPAR5 (0.45) PLA2G2ALPAR3LPAR1LPAR2PLA2G2C
SCHEMBL8730243 0.71 PLA2G2A (0.47) PLA2G2AFDPS
SCHEMBL8972833 0.71 PLA2G2C (0.48) PLA2G2APLA2G2C
SCHEMBL8734261 0.70 ASAH2 (0.43) FDPS
SCHEMBL8733089 0.70 ASAH2 (0.43) FDPS
SCHEMBL8729196 0.70 ASAH2 (0.43) FDPS
SCHEMBL8727555 0.70 PLA2G2A (0.43) PLA2G2AFDPS
Phosphorylethanolamine SCHEMBL8972363 0.70 LPAR3 (0.42) PLA2G2ALPAR3FDPSLPAR1LPAR2

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