SCHEMBL4952178

SCHEMBL4952178

O=COCCOC1CCCCC1.O=COCOC1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.32

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
SCHEMBL1318740 0.87 SPHK1 (0.34)
SCHEMBL112607 0.85
SCHEMBL73235 0.83 NPC1 (0.45) NPC1HPGD
SCHEMBL8802672 0.83 NPC1 (0.45) NPC1HPGD
SCHEMBL72977 0.82 NPC1 (0.38) NPC1HPGD
SCHEMBL9035182 0.82 NPC1 (0.38) NPC1HPGD
SCHEMBL11909720 0.82 NPC1 (0.38) NPC1HPGD
SCHEMBL6987461 0.80 NPC1 (0.34) NPC1
SCHEMBL9566739 0.73 NPC1 (0.42) NPC1HPGD
SCHEMBL9036075 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008026075-A2 TREATMENT OF INTRACELLULAR BACTERIAL INFECTIONS WITH A PROTEIN KINASE INHIBITOR OR AN AS160 POLYPEPTIDE ACTIVATOR VERENIGING HET NEDERLANDS KANKER INSTITUUT (NL) 2008-03-06 WO disclosed
EP-1501822-A1 PHTHALAZINONE DERIVATIVES Kudos Pharmaceuticals Limited (GB) 2005-02-02 EP disclosed
WO-2003093261-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2003-11-13 WO disclosed