SCHEMBL7769326

SCHEMBL7769326

COC(=O)NCCCC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.57
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ACHE P22303 8/20 0.42
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7769388 0.93 EPHX1 (0.61) EPHX1MAOAMAOBACHETSHR
SCHEMBL7770941 0.91 EPHX1 (0.64) EPHX1MAOAMAOBACHETDP1
SCHEMBL7771587 0.91 EPHX1 (0.64) EPHX1MAOAMAOBACHETDP1
SCHEMBL7765979 0.88 EPHX1 (0.48) EPHX1MAOAMAOBACHETSHR
SCHEMBL12448046 0.85 EPHX1 (0.52) EPHX1MAOAMAOBACHETSHR
SCHEMBL18890830 0.85 EPHX1 (0.56) EPHX1MAOAMAOBACHETSHR
SCHEMBL7252127 0.83 EPHX1 (0.77) EPHX1ACHETSHRTDP1KDM4E
SCHEMBL14433357 0.83 EPHX1 (0.70) EPHX1ACHETSHRTDP1KDM4E
SCHEMBL21538522 0.82 TSHR (0.61) EPHX1ACHETSHR
SCHEMBL628018 0.82 EPHX1 (0.57) EPHX1ACHETSHRHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017137423-A1 IMPROVED SULFAMIDE LINKERS FOR USE IN BIOCONJUGATES SYNAFFIX B.V. (NL) 2017-08-17 WO disclosed
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