SCHEMBL7769630

SCHEMBL7769630

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 8/20 0.37
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
EPHX2 P34913 3/20 0.34
EPHX1 P07099 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7773702 0.95 ACHE (0.38) ALDH1A1POLBSMN1; SMN2ACHEKMT2A
SCHEMBL7770042 0.88 HTT (0.39) ACHEHTT
SCHEMBL25447803 0.86 MEN1 (0.48) ALDH1A1POLBSMN1; SMN2ACHEKMT2A
SCHEMBL7769633 0.85 MAOA (0.40) ALDH1A1POLBSMN1; SMN2ACHEKMT2A
SCHEMBL7773705 0.79 ACHE (0.39) ALDH1A1POLBSMN1; SMN2ACHEKMT2A
SCHEMBL12096780 0.78 EPHX1 (0.59) ACHEEPHX1
SCHEMBL12096804 0.78 EPHX1 (0.59) ACHEEPHX1
SCHEMBL11970037 0.78 EPHX1 (0.59) ACHEEPHX1
SCHEMBL12096945 0.78 EPHX1 (0.59) ACHEEPHX1
SCHEMBL7771611 0.77 ACHE (0.48) ACHEEPHX2EPHX1

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