SCHEMBL1821399

SCHEMBL1821399

OC(=Cc1ccc(O)cc1O)c1ccc(O)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.54
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
TYR P14679 3/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
TSHR P16473 1/20 0.50
MGAM O43451 2/20 0.47

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
SCHEMBL28847467 0.78 TYR (0.56) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL11334104 0.72 TYR (0.48) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL11334099 0.72 TYR (0.48) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL11359639 0.72 TYR (0.48) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL5268651 0.72 CA12 (0.61) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL1822010 0.71 TYR (0.75) MEN1KMT2ATYRCHRNA7SYNJ2
SCHEMBL1822012 0.71 TYR (0.75) MEN1KMT2ATYRCHRNA7SYNJ2
SCHEMBL675094 0.68 TYR (1.00) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL675095 0.68 TYR (1.00) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11344121 0.68 TYR (0.44) GAAALDH1A1MEN1KMT2AMAPT

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
JP-2011528336-A 2011-11-17 JP claimed
EP-2315583-A2 FORMULATION FOR IMPROVING THE BIOAVAILABILITY OF A HYDROPHOBIC MOLECULE Yvery (FR) 2011-05-04 EP claimed
WO-2010007252-A2 FORMULATION FOR IMPROVING THE BIOAVAILABILITY OF A HYDROPHOBIC MOLECULE YVERY (FR) 2010-01-21 WO claimed