SCHEMBL7771103

SCHEMBL7771103

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
FOLH1 Q04609 5/20 0.42
HPGDS O60760 2/20 0.41
LAP3 P28838 3/20 0.41
CNR2 P34972 3/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38

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
SCHEMBL12661064 0.86 ALDH1A1 (0.48) ALDH1A1FOLH1LAP3MEN1LMNA
SCHEMBL12500677 0.86 ALDH1A1 (0.48) ALDH1A1FOLH1LAP3MEN1LMNA
SCHEMBL8536002 0.86 ALDH1A1 (0.48) ALDH1A1FOLH1LAP3MEN1LMNA
SCHEMBL7883345 0.83 SMN1; SMN2 (0.45) ALDH1A1FOLH1HPGDSLAP3CNR2
SCHEMBL7769892 0.83 PPID (0.42) ALDH1A1FOLH1HPGDSLAP3CTSK
SCHEMBL2632701 0.82 CTSK (0.60) CTSLCTSBCTSSCTSKCA1
SCHEMBL14152879 0.82 CTSK (0.60) CTSLCTSBCTSSCTSKCA1
SCHEMBL7770030 0.82 KCNA5 (0.40) ALDH1A1FOLH1HPGDSLAP3CNR2
SCHEMBL11434953 0.82 TAS1R3 (0.54) FOLH1TAS1R3TAS1R1
SCHEMBL3447885 0.82 ALDH1A1 (0.64) ALDH1A1FOLH1LAP3MEN1LMNA

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