SCHEMBL4648943

SCHEMBL4648943

CCOP(=O)(CCCOC(=O)CCCCC(=O)OCCCP(=O)(OCC)OCC)OCC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.48
PPARD Q03181 1/20 0.47
DNM1 Q05193 1/20 0.41
P2RY10 O00398 4/20 0.41
GPR34 Q9UPC5 2/20 0.41
CYP1A2 P05177 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TSHR P16473 1/20 0.39
ENPP2 Q13822 4/20 0.39
LPAR6 P43657 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR4 Q99677 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39

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
SCHEMBL15951716 0.90 DGKA (0.50) DGKAPPARDDNM1P2RY10GPR34
SCHEMBL15951772 0.88 DGKA (0.47) DGKAPPARDDNM1P2RY10GPR34
SCHEMBL4931741 0.87 CYP1A2 (0.50) DGKAPPARDCYP1A2TSHRENPP2
SCHEMBL2357259 0.87 DGKA (0.56) DGKADNM1P2RY10GPR34PRSS1
SCHEMBL2356264 0.87 DGKA (0.56) DGKADNM1P2RY10GPR34PRSS1
SCHEMBL2356218 0.87 DGKA (0.56) DGKADNM1P2RY10GPR34PRSS1
SCHEMBL8551385 0.86 CYP1A2 (0.48) DGKAPPARDCYP1A2TSHRENPP2
SCHEMBL18590888 0.86 CYP1A2 (0.48) DGKAPPARDCYP1A2TSHRENPP2
SCHEMBL1406274 0.86 CYP1A2 (0.48) DGKAPPARDCYP1A2TSHRENPP2
SCHEMBL4232740 0.86 CYP1A2 (0.48) DGKAPPARDCYP1A2TSHRENPP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275152-A1 Halogen-free, flame-retardant polyurethane foams LANXESS DEUTSCHLAND GMBH 2008-11-06 US disclosed
US-20080275152-A1 Halogen-free, flame-retardant polyurethane foams LANXESS DEUTSCHLAND GMBH 2008-11-06 US disclosed
US-20080275152-A1 Halogen-free, flame-retardant polyurethane foams LANXESS DEUTSCHLAND GMBH 2008-11-06 US disclosed
EP-1964880-A1 Halogen-free flame-resistant polyurethane foams Lanxess Deutschland GmbH (DE) 2008-09-03 EP disclosed
EP-1964880-A1 Halogen-free flame-resistant polyurethane foams Lanxess Deutschland GmbH (DE) 2008-09-03 EP disclosed