SCHEMBL3236104

SCHEMBL3236104

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(CC(N)=O)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 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
SCHEMBL19926984 0.84 ALOX15 (0.33) CA2CA1NOS3NOS1NOS2
SCHEMBL31371785 0.84
SCHEMBL30444378 0.77 LMNA (0.30)
SCHEMBL6814756 0.77 CA1 (0.34) CA2CA1
SCHEMBL5679725 0.76 CA1 (0.41) CA2CA1
SCHEMBL19138453 0.76 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL30103441 0.76 CA2 (0.35) CA2NOS3NOS1NOS2
SCHEMBL28361378 0.73 FOLH1 (0.48) NOS3NOS1NOS2
SCHEMBL25376407 0.71 GABRR1 (0.39) CA2NOS3NOS1NOS2
SCHEMBL9104798 0.71 CPB2 (0.39) NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010030739-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-18 WO claimed
WO-2009129387-A2 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-10-22 WO claimed
WO-2009129395-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-10-22 WO claimed
WO-2010030739-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-18 WO disclosed
WO-2009129385-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-10-22 WO disclosed
WO-2009129387-A2 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-10-22 WO disclosed
WO-2009129395-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-10-22 WO disclosed