SCHEMBL7769333

SCHEMBL7769333

CCCOC(=O)NCCC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.55
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7771516 0.89 ACHE (0.62) ACHE
SCHEMBL7769264 0.84 ALOX15 (0.44) ACHEALDH1A1KMT2AL3MBTL1
SCHEMBL8141870 0.81 ACHE (0.68) ACHE
SCHEMBL5700191 0.81 ACHE (0.65) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL24661338 0.81 ACHE (0.60) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7769332 0.81 ACHE (0.55) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3902756 0.80 ACHE (0.59) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7773559 0.80 ACHE (0.48) ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL7564851 0.79 ACHE (0.76) ACHE
Ammonia Solution, Strong SCHEMBL28282442 0.79 ACHE (0.63) ACHECHRNB2CHRNB4CHRNA3CHRNA4

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