SCHEMBL8780569

SCHEMBL8780569

COC(=O)c1cccc(Oc2cccc(OC)c2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.70
L3MBTL1 Q9Y468 1/20 0.56
CYP1A2 P05177 2/20 0.52
GAA P10253 2/20 0.52
RECQL P46063 1/20 0.52
MTNR1B P49286 5/20 0.47
MTNR1A P48039 3/20 0.47
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
BRCA1 P38398 1/20 0.44
HBB P68871 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44
GRM4 Q14833 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PGR P06401 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL7608437 0.86 MAPT (0.67) MAPTL3MBTL1CYP1A2GAARECQL
SCHEMBL8780576 0.86 MAPT (0.67) MAPTL3MBTL1CYP1A2GAARECQL
SCHEMBL7528425 0.82 MAPT (1.00) MAPTL3MBTL1CYP1A2GAARECQL
SCHEMBL7613351 0.81 MAPT (0.61) MAPTL3MBTL1CYP1A2GAARECQL
SCHEMBL31264286 0.81 MAPT (0.55) MAPTL3MBTL1CYP1A2GAARECQL
SCHEMBL875715 0.81 MAPT (0.55) MAPTL3MBTL1CYP1A2GAARECQL
SCHEMBL8633384 0.80 MAPT (0.59) MAPTL3MBTL1CYP1A2GAARECQL
SCHEMBL17456362 0.79 MAPT (0.59) MAPTL3MBTL1CYP1A2GAARECQL
SCHEMBL22453223 0.78 MAPT (0.57) MAPTL3MBTL1CYP1A2GAARECQL
SCHEMBL8074651 0.78 MAPT (0.57) MAPTL3MBTL1CYP1A2GAARECQL

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-0806414-A1 Intermediates for herbicidal carboxamide derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-11-12 EP claimed
EP-0806414-A1 Intermediates for herbicidal carboxamide derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-11-12 EP disclosed