SCHEMBL8808731

SCHEMBL8808731

COc1ccc(CC(C)NCCOc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5oc34)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ MAOB P27338 5/20 0.45
▸ ADORA2B P29275 2/20 0.45
▸ ABCB1 P08183 3/20 0.44
▸ TP53 P04637 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAOA P21397 2/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40

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
SCHEMBL8808353 0.98 MAPT (0.47) MAPTMAOBADORA2BABCB1TP53
SCHEMBL8831013 0.91 MAPT (0.48) MAPTMAOBADORA2BABCB1TP53
SCHEMBL8830578 0.89 MAOB (0.45) MAPTMAOBADORA2BABCB1TP53
SCHEMBL8815541 0.88 MAOB (0.46) MAPTMAOBADORA2BABCB1TP53
SCHEMBL8830590 0.84 MAPT (0.39) MAPTMAOBTP53KMT2AMEN1
SCHEMBL8815521 0.83 ACHE (0.52) MAPT
SCHEMBL8808718 0.83 MAPT (0.48) MAPTMAOBADORA2BABCB1TP53
SCHEMBL8808344 0.82 ACHE (0.49) MAPTMAOBADORA2BTP53
SCHEMBL8831005 0.81 MAPT (0.49) MAPTMAOBADORA2BABCB1TP53
SCHEMBL8808244 0.81 MAPT (0.39) MAPTTP53KMT2AMEN1NPC1

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
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 — — EP disclosed
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