SCHEMBL8815541

SCHEMBL8815541

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.46
▸ ADORA2B P29275 2/20 0.46
▸ MAPT P10636 6/20 0.43
▸ MCHR1 Q99705 2/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ MAOA P21397 4/20 0.41
▸ ABCB1 P08183 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 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
SCHEMBL8808731 0.88 MAPT (0.48) MAOBADORA2BMAPTMCHR1HDAC1
SCHEMBL8831013 0.87 MAPT (0.48) MAOBADORA2BMAPTMCHR1HDAC1
SCHEMBL8808353 0.86 MAPT (0.47) MAOBADORA2BMAPTMCHR1HDAC1
SCHEMBL8810137 0.83 MAPT (0.40) MAOBADORA2BMAPTNPC1RAB9A
SCHEMBL8815533 0.81 KDR (0.48) MAOBADORA2BMAPTMCHR1HDAC1
SCHEMBL8808377 0.81 MAPT (0.40) MAOBADORA2BMAPTNPC1RAB9A
SCHEMBL8815521 0.80 ACHE (0.52) MAPTKDRKDM4EALDH1A1LMNA
SCHEMBL8808718 0.79 MAPT (0.48) MAOBADORA2BMAPTMCHR1HDAC1
SCHEMBL8808344 0.79 ACHE (0.49) MAOBADORA2BMAPTTP53KDR
SCHEMBL8807078 0.79 MAPT (0.46) MAPTNPC1RAB9ATP53MAPK1

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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