SCHEMBL7765976

SCHEMBL7765976

NC(=O)CNCCCCCF

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.73
MAOB P27338 2/20 0.73
HDAC6 Q9UBN7 1/20 0.39
PAOX Q6QHF9 3/20 0.38
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
MEN1 O00255 1/20 0.33
F13A1 P00488 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
CASP2 P42575 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
SCHEMBL28258491 0.91
SCHEMBL11922739 0.81
SCHEMBL7765942 0.81 MAOA (0.48) MAOAMAOBHDAC6PAOXCA12
SCHEMBL19235947 0.79
Hydrochloric Acid SCHEMBL14311815 0.79 MAOA (0.56) MAOAMAOB
Hydrochloric Acid SCHEMBL2020152 0.79
SCHEMBL152134 0.79
SCHEMBL7339341 0.78 MAOA (0.67) MAOAMAOBMEN1CYP1A2CYP2C19
SCHEMBL7338476 0.78 MAOA (0.67) MAOAMAOBMEN1CYP1A2CYP2C19
SCHEMBL7377007 0.78 MAOA (0.67) MAOAMAOBMEN1CYP1A2CYP2C19

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