SCHEMBL7769372

SCHEMBL7769372

CC(C)CC(NC(=O)OCC(F)(F)F)C([NH])=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.42
CTSK P43235 8/20 0.40
CTSS P25774 5/20 0.40
CTSL P07711 5/20 0.40
CTSB P07858 3/20 0.40
HTT P42858 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
FOLH1 Q04609 4/20 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
SCHEMBL27904264 0.84 CAPN1 (0.42) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL3805990 0.84 CNR2 (0.46) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL7769375 0.84 CNR2 (0.46) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL7769345 0.84 HTT (0.40) CAPN1CTSKCTSSHTT
SCHEMBL7766024 0.80 HTT (0.42) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL7769886 0.80 CTSK (0.41) CTSKCTSSCTSLCTSBHTT
SCHEMBL7770027 0.79 CTSK (0.40) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL7771100 0.78 CTSL (0.43) CTSKCTSSCTSLCTSBFOLH1
SCHEMBL7771079 0.78 HTT (0.40) CTSKCTSSCTSLCTSBHTT
SCHEMBL3809516 0.77 CTSL (0.43) CAPN1CTSKCTSSCTSLCTSB

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