SCHEMBL7765972

SCHEMBL7765972

COC(=O)NCCC([NH])=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
TSHR P16473 4/20 0.36
ACHE P22303 8/20 0.34
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
RECQL P46063 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL7769323 0.86 EPHX1 (0.55) EPHX1TSHRACHEMEN1KMT2A
SCHEMBL7769387 0.85 EPHX1 (0.59) EPHX1TSHRACHEMEN1KMT2A
SCHEMBL7770935 0.83 EPHX1 (0.62) EPHX1ACHE
SCHEMBL7771583 0.83 EPHX1 (0.62) EPHX1ACHE
SCHEMBL7769261 0.80 ACHE (0.44) ACHEKMT2A
SCHEMBL3190326 0.79 EPHX1 (0.61) EPHX1TSHRACHEMEN1HSP90AA1
SCHEMBL7771523 0.79 ALOX15 (0.40) TSHRMEN1KMT2A
SCHEMBL7765884 0.79 TDP1 (0.55) EPHX1MEN1KMT2ACA12
SCHEMBL5949703 0.78 EPHX1 (0.50) EPHX1TSHRACHEMEN1HSP90AA1
SCHEMBL205904 0.78 EPHX1 (0.50) EPHX1TSHR

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