SCHEMBL7769425

SCHEMBL7769425

CC(C)(NC(=O)OCCCBr)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
ACHE P22303 7/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
FAAH O00519 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
SCHEMBL7773645 0.84 ALDH1A1 (0.48) EPHX1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL7769422 0.83 EPHX1 (0.33) EPHX1ACHEFAAH
SCHEMBL759928 0.82 EPHX1 (0.37) EPHX1ACHERAB9AFAAH
SCHEMBL7771364 0.81 EPHX1 (0.36) EPHX1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL7771474 0.80 SMN1; SMN2 (0.42) EPHX1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL760648 0.77 EPHX1 (0.40) EPHX1ACHEFAAH
SCHEMBL7773594 0.76 ALOX15 (0.44) NPC1ALDH1A1
SCHEMBL25362201 0.75 EPHX1 (0.43) EPHX1ACHEFAAH
SCHEMBL21596988 0.75 EPHX1 (0.43) EPHX1ACHEFAAH
SCHEMBL7765955 0.74

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