SCHEMBL8808718

SCHEMBL8808718

COc1ccc(CCN(C)CCOc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5oc34)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ KDR P35968 2/20 0.46
▸ MAOB P27338 1/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ MCHR1 Q99705 1/20 0.44
▸ ACHE P22303 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ BCHE P06276 5/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ TP53 P04637 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL8808344 0.96 ACHE (0.49) MAPTKDRMAOBADORA2BACHE
SCHEMBL8815521 0.93 ACHE (0.52) MAPTKDRACHEBCHEKDM4E
SCHEMBL8831005 0.91 MAPT (0.49) MAPTKDRMAOBADORA2BMCHR1
SCHEMBL8807556 0.89 MAOB (0.47) MAPTMAOBADORA2BMEN1KMT2A
SCHEMBL8815533 0.87 KDR (0.48) MAPTKDRMAOBADORA2BMCHR1
SCHEMBL8807068 0.83 KCNH2 (0.44) MAPTKDRMEN1KMT2ATP53
SCHEMBL8789872 0.83 ABCG2 (0.57) MAPTKDRMEN1KMT2AABCB1
SCHEMBL8808731 0.83 MAPT (0.48) MAPTMAOBADORA2BMCHR1MEN1
SCHEMBL8789875 0.83 SMPD1 (0.45) MAPTKDRABCB1TP53KDM4E
SCHEMBL8808353 0.82 MAPT (0.47) MAPTMAOBADORA2BMCHR1MEN1

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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