SCHEMBL7769996

SCHEMBL7769996

NC(=O)CNC(=O)OCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL28096910 0.81 HTT (0.46) HTTNPC1RAB9ASMN1; SMN2
SCHEMBL7770044 0.81 HTT (0.39) HTTMAOAMAOB
SCHEMBL7769991 0.80 HTT (0.42) HTTNPC1RAB9ASMN1; SMN2
SCHEMBL7773705 0.79 ACHE (0.39) HTTMAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL24687424 0.79 HTT (0.48) HTTNPC1RAB9ASMN1; SMN2CA1
SCHEMBL7769633 0.78 MAOA (0.40) HTTMAOAMAOBSMN1; SMN2CA2
SCHEMBL1783247 0.77 HTT (0.46) HTTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14001450 0.76 HTT (0.42) HTTMAOBSMN1; SMN2CA1CA2
SCHEMBL967570 0.75 HTT (0.45) HTTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11173967 0.74 HTT (0.48) HTTCA1CA2CA9ALDH1A1

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