SCHEMBL7769682

SCHEMBL7769682

[NH]C(=O)CNC(=O)OCCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 1/20 0.61
RECQL P46063 1/20 0.61
RAB9A P51151 1/20 0.61
LMNA P02545 2/20 0.55
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
CTSK P43235 1/20 0.48
CHRNA7 P36544 1/20 0.48
NAAA Q02083 3/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL7765997 0.95 NPC1 (0.56) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL7771581 0.94 NPC1 (0.55) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL7773765 0.91 MGLL (0.50) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL7769683 0.85 LMNA (0.64) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL5213750 0.83 NPC1 (0.59) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL28255730 0.81 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL28866304 0.81 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL4920810 0.81 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL7765686 0.81 LMNA (0.61) SMN1; SMN2NPC1RAB9ALMNACTSK
SCHEMBL7766002 0.81 LMNA (0.58) SMN1; SMN2NPC1RECQLRAB9ALMNA

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