SCHEMBL7769261

SCHEMBL7769261

CCOC(=O)NCCC([NH])=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39

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
SCHEMBL7770082 0.88 ACHE (0.50) ACHEGLAKMT2AHDAC3HDAC4
SCHEMBL7771611 0.86 ACHE (0.48) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL7769332 0.84 ACHE (0.55) ACHE
SCHEMBL29834112 0.82 ACHE (0.54) ACHEGLAKMT2AHDAC3HDAC4
SCHEMBL7771514 0.81 ACHE (0.62) ACHE
SCHEMBL7255174 0.81 HDAC3 (0.46) ACHEGLAKMT2AHDAC3HDAC4
SCHEMBL27495408 0.81 ACHE (0.45) ACHEGLAKMT2AHDAC3HDAC4
SCHEMBL1425763 0.81 GAA (0.52) ACHEGLAKMT2AHDAC3HDAC4
SCHEMBL7765972 0.80 EPHX1 (0.48) ACHEKMT2A
SCHEMBL20188130 0.79 TSHR (0.48) ACHEGLAKMT2AHDAC3HDAC4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed