SCHEMBL4959016

SCHEMBL4959016

CCC(CC)CCCOc1cccc(-c2ncnc(-c3ccc(OC)cc3)n2)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 2/20 0.36
HIF1A Q16665 2/20 0.36
GBA1 P04062 1/20 0.36
GLA P06280 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PTPN1 P18031 1/20 0.35
CLK4 Q9HAZ1 1/20 0.34
HPGD P15428 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34

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
SCHEMBL5163603 0.93 KMT2A (0.40) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL4959013 0.82 HTT (0.43) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL5550291 0.82 MEN1 (0.41) MAPTKMT2AMEN1GAAHIF1A
SCHEMBL4554162 0.82 TDP1 (0.41) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL4134339 0.81 MAPT (0.35) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL5546832 0.79 TRPV1 (0.36) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL7093852 0.77 NPC1 (0.40) MAPTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL30996060 0.77 NR2E1 (0.46) MAPTTP53SMN1; SMN2KMT2AMEN1
SCHEMBL5550275 0.76 CYP3A4 (0.36) MAPTSMN1; SMN2KMT2AMEN1GAA
SCHEMBL5550266 0.75 CNR2 (0.41) MAPTKMT2AMEN1GAAHIF1A

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-1889604-A2 Use of a C-glycoside derivative to improve the barrier function of the skin L'OREAL (FR) 2008-02-20 EP disclosed
EP-1803437-A1 Use of a carbohydrate to improve the barrier function of the skin L'Oréal (FR) 2007-07-04 EP disclosed