SCHEMBL8973335

SCHEMBL8973335

CCCCCCCCCCS(=O)(=O)NC(CCCCCC)COP(=O)(O)CCOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.50
LPAR1 Q92633 5/20 0.40
LPAR3 Q9UBY5 4/20 0.40
PIN1 Q13526 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL8972694 1.00 CETP (0.50) CETPLPAR1LPAR3PIN1AR
SCHEMBL8972562 1.00 CETP (0.50) CETPLPAR1LPAR3PIN1AR
SCHEMBL8733228 0.87 CETP (0.52) CETP
SCHEMBL8727543 0.86 CETP (0.43) CETPLPAR1LPAR3PIN1AR
SCHEMBL8733385 0.86 CETP (0.43) CETPLPAR1LPAR3PIN1AR
SCHEMBL8733271 0.86 CETP (0.43) CETPLPAR1LPAR3PIN1AR
SCHEMBL8732298 0.86 CETP (0.43) CETPLPAR1LPAR3PIN1AR
SCHEMBL8733051 0.86 CETP (0.43) CETPLPAR1LPAR3PIN1AR
SCHEMBL8733266 0.86 CETP (0.43) CETPLPAR1LPAR3PIN1AR
SCHEMBL8726823 0.86 CETP (0.43) CETPLPAR1LPAR3PIN1AR

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