SCHEMBL1867644

SCHEMBL1867644

COc1cc(C=C(C(=O)O)C(=Cc2ccc(O)cc2)C(=O)O)cc(OC)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.56
MAPT P10636 3/20 0.50
PKM P14618 2/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
MET P08581 3/20 0.49
GAA P10253 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
GLO1 Q04760 2/20 0.46
ABL1 P00519 1/20 0.46
APP P05067 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
MAOA P21397 2/20 0.45

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
SCHEMBL718131 0.87 PKM (0.59) MAPTPKMPTGS1PTGS2MET
SCHEMBL30394931 0.83 MAPT (0.58) MAPTPKMPTGS1PTGS2MET
SCHEMBL9688979 0.83 MAPT (0.58) MAPTPKMPTGS1PTGS2MET
SCHEMBL5770279 0.83 MAPT (0.58) MAPTPKMPTGS1PTGS2MET
SCHEMBL7813366 0.79 GAA (0.75) MAPTGAATDP1KDM4EALDH1A1
SCHEMBL7813363 0.79 GAA (0.75) MAPTGAATDP1KDM4EALDH1A1
SCHEMBL9121535 0.79 PKM (0.50) MAPTPKMPTGS1PTGS2GAA
SCHEMBL9121538 0.79 PKM (0.50) MAPTPKMPTGS1PTGS2GAA
SCHEMBL28630446 0.77 PKM (0.59) MAPTPKMPTGS1PTGS2MET
SCHEMBL9125332 0.77 MEN1 (0.53) MAPTPKMPTGS1PTGS2MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110104739-A1 BIOMARKERS FOR AMYOTROPHIC LATERAL SCLEROSIS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-05-05 US disclosed