SCHEMBL11069573

SCHEMBL11069573

COc1ccc(CCN(CCO)C(=O)CCCCOC2CC(=O)Nc3ccccc32)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.40
MAP2K1 Q02750 2/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ABCB1 P08183 1/20 0.38
CDK8 P49336 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
APP P05067 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL11061721 0.82 PDE3B (0.39) RAF1MAP2K1MEN1KMT2ACDK8
SCHEMBL11063084 0.77 MAPT (0.41) RAF1MAP2K1MEN1KMT2AMAPT
SCHEMBL11066201 0.76 PDE3B (0.50)
SCHEMBL11068094 0.74 MAOA (0.50)
SCHEMBL11066130 0.74 PDE3B (0.53) ALDH1A1MAPT
SCHEMBL11062181 0.73 PDE3B (0.49) MEN1KMT2AALDH1A1MAPK1
SCHEMBL11071318 0.72 MAPT (0.41) RAF1MAP2K1MEN1KMT2AMAPT
SCHEMBL11064862 0.71 MAPT (0.43) RAF1MAP2K1MEN1KMT2AMAPT
SCHEMBL11071664 0.69 ALDH1A1 (0.48) RAF1MAP2K1MEN1KMT2AKDM4E
SCHEMBL11068986 0.69 PDE3B (0.51) ALDH1A1MAPT

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
US-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed