SCHEMBL8815533

SCHEMBL8815533

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.48
▸ MAOB P27338 4/20 0.47
▸ ADORA2B P29275 2/20 0.47
▸ MAPT P10636 4/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ BCHE P06276 4/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ACHE P22303 3/20 0.43
▸ MAOA P21397 2/20 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
SCHEMBL8815521 0.88 ACHE (0.52) KDRMAPTBCHEACHE
SCHEMBL8808718 0.87 MAPT (0.48) KDRMAOBADORA2BMAPTMCHR1
SCHEMBL8808344 0.85 ACHE (0.49) KDRMAOBADORA2BMAPTBCHE
SCHEMBL8831005 0.84 MAPT (0.49) KDRMAOBADORA2BMAPTMCHR1
SCHEMBL8810132 0.82 KDR (0.45) KDRMAOBADORA2BMAPTNPC1
SCHEMBL8815541 0.81 MAOB (0.46) KDRMAOBADORA2BMAPTMCHR1
SCHEMBL8808731 0.80 MAPT (0.48) MAOBADORA2BMAPTMCHR1HDAC1
SCHEMBL8808353 0.79 MAPT (0.47) MAOBADORA2BMAPTMCHR1HDAC1
SCHEMBL8831013 0.79 MAPT (0.48) MAOBADORA2BMAPTMCHR1HDAC1
SCHEMBL8808371 0.79 KDR (0.46) KDRMAOBADORA2BMAPTNPC1

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
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 — — US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 — — EP disclosed
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