SCHEMBL7773702

SCHEMBL7773702

[NH]C(=O)CCCNC(=O)OCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL7769630 0.95 ALDH1A1 (0.37) ACHEHTTALDH1A1POLBSMN1; SMN2
SCHEMBL7770042 0.89 HTT (0.39) ACHEHTT
SCHEMBL7773705 0.84 ACHE (0.39) ACHEHTTALDH1A1POLBSMN1; SMN2
SCHEMBL25447803 0.83 MEN1 (0.48) ACHEHTTALDH1A1POLBSMN1; SMN2
SCHEMBL7769633 0.79 MAOA (0.40) ACHEHTTALDH1A1POLBSMN1; SMN2
SCHEMBL12097015 0.79 ACHE (0.63) ACHE
SCHEMBL7769991 0.78 HTT (0.42) HTTSMN1; SMN2
SCHEMBL29362788 0.78 HTT (0.42) ACHEHTTALDH1A1POLBSMN1; SMN2
SCHEMBL7770082 0.77 ACHE (0.50) ACHEKMT2AHDAC3HDAC4HDAC1
SCHEMBL7771589 0.77 ACHE (0.41) ACHEHTTALDH1A1SMN1; SMN2HDAC3

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