SCHEMBL7769633

SCHEMBL7769633

NC(=O)CCCCNC(=O)OCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 8/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 3/20 0.35
EPHX1 P07099 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL7773705 0.95 ACHE (0.39) MAOAMAOBALDH1A1POLBSMN1; SMN2
SCHEMBL7770044 0.89 HTT (0.39) MAOAMAOBACHEHTT
SCHEMBL25447803 0.87 MEN1 (0.48) ALDH1A1POLBSMN1; SMN2ACHEHTT
SCHEMBL7769630 0.85 ALDH1A1 (0.37) ALDH1A1POLBSMN1; SMN2ACHEHTT
SCHEMBL11970037 0.79 EPHX1 (0.59) ACHEEPHX1
SCHEMBL12096945 0.79 EPHX1 (0.59) ACHEEPHX1
SCHEMBL7773702 0.79 ACHE (0.38) ALDH1A1POLBSMN1; SMN2ACHEHTT
SCHEMBL12096780 0.79 EPHX1 (0.59) ACHEEPHX1
SCHEMBL12096804 0.79 EPHX1 (0.59) ACHEEPHX1
SCHEMBL12097015 0.79 ACHE (0.63) ACHEEPHX1

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