SCHEMBL382035

SCHEMBL382035

COc1cc(C(C)=O)ccc1OCN(C(=O)OCc1ccccc1)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTGDR2 Q9Y5Y4 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.44
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
APP P05067 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
SCHEMBL381787 0.86 L3MBTL1 (0.55) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL382044 0.81 L3MBTL1 (0.49) KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2
SCHEMBL340620 0.78 NPC1 (0.75) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL31025721 0.78 NPC1 (0.75) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL381569 0.77 PTGDR2 (0.42) PTGDR2
SCHEMBL18209921 0.76 PTGDR2 (0.42) PTGDR2
SCHEMBL9236564 0.73 SMPD1 (0.73) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL19225761 0.73 NPC1 (0.60) KMT2AKDM4EMEN1ALDH1A1NPC1
SCHEMBL13434086 0.72 CCR5 (0.59) ALDH1A1L3MBTL1
SCHEMBL3123036 0.72 MAOB (0.64) KMT2AKDM4EMEN1ALDH1A1NPC1

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-2408739-A1 A PROCESS FOR THE PREPARATION OF 6-(7-((1-AMINOCYCLOPROPYL)METHOXY)-6-METHOXYQUINOLIN-4-YLOXY)-N-METHYL-1-NAPHTHAMIDE AND SYNTHETIC INTERMEDIATES THEREOF EOS Ethical Oncology Science S.p.A. In Abbreviated From EOS S.p.A. (IT) 2012-01-25 EP claimed
WO-2010105761-A1 A PROCESS FOR THE PREPARATION OF 6-(7-((1-AMINOCYCLOPROPYL)METHOXY)-6-METHOXYQUINOLIN-4-YLOXY)-N-METHYL-1-NAPHTHAMIDE AND SYNTHETIC INTERMEDIATES THEREOF EOS ETHICAL ONCOLOGY SCIENCE S.P.A. IN ABBREVIATED FORM EOS S.P.A. (IT) 2010-09-23 WO claimed