SCHEMBL3476441

SCHEMBL3476441

CCC1CN=C(c2cccc(C3=NCC(CC)O3)c2)O1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NISCH Q9Y2I1 2/20 0.31
DRD1 P21728 2/20 0.31

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
SCHEMBL3476376 0.79 ALDH1A1 (0.41) ALDH1A1KDM4E
SCHEMBL13256248 0.77 ALDH1A1 (0.40) ALDH1A1KDM4E
SCHEMBL2782902 0.77 ALDH1A1 (0.42) NPC1ALDH1A1NISCH
SCHEMBL6718678 0.72 ALDH1A1 (0.35) ALDH1A1KDM4E
SCHEMBL10521596 0.71 NPC1 (0.45) NPC1ALDH1A1
SCHEMBL9255732 0.70 ALDH1A1 (0.40) NPC1ALDH1A1NISCH
SCHEMBL1338547 0.68 NISCH (0.50) NPC1ALDH1A1NISCH
SCHEMBL10520201 0.67 NPC1 (0.37) NPC1ALDH1A1
SCHEMBL9322435 0.67 NPC1 (0.50) NPC1ALDH1A1NISCH
SCHEMBL9319820 0.67 SMN1; SMN2 (0.42) NPC1ALDH1A1NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659000-B2 Tie layer material for such polymer pairs is prepared, preferably in the extruder, by melt reaction of one of the two polymers, a coupling agent reactive with both polymers and optionally a catalyst BOSTON SCIENTIFIC SCIMED, INC. (US) 2010-02-09 US disclosed
EP-1740378-B9 ADHESION TECHNIQUE FOR INCOMPATIBLE POLYMERS USING MODIFIED POLYMER TIE LAYERS BOSTON SCIENT LTD (BB) 2008-08-06 EP disclosed
EP-1740378-B1 ADHESION TECHNIQUE FOR INCOMPATIBLE POLYMERS USING MODIFIED POLYMER TIE LAYERS BOSTON SCIENT LTD (BB) 2008-04-23 EP disclosed
EP-1740378-A1 ADHESION TECHNIQUE FOR INCOMPATIBLE POLYMERS USING MODIFIED POLYMER TIE LAYERS Boston Scientific Limited (BB) 2007-01-10 EP disclosed
WO-2005102689-A1 ADHESION TECHNIQUE FOR INCOMPATIBLE POLYMERS USING MODIFIED POLYMER TIE LAYERS BOSTON SCIENTIFIC LIMITED (BB) 2005-11-03 WO disclosed
US-20050227087-A1 Adhesion technique for incompatible polymers using modified polymer tie layers SCIMED LIFE SYSTEMS, INC. (US) 2005-10-13 US disclosed