SCHEMBL7769345

SCHEMBL7769345

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
CTSK P43235 4/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
ADRA1A P35348 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CTSS P25774 1/20 0.34
PLA2G2C Q5R387 1/20 0.32
CAPN1 P07384 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7769372 0.84 CAPN1 (0.42) HTTCTSKCTSSCAPN1
SCHEMBL7769348 0.83 TSHR (0.40) HTTCTSKTSHRLMNACYP3A4
SCHEMBL7771083 0.80 MGAM (0.38) HTTCTSKLMNACTSSSMN1; SMN2
SCHEMBL7766024 0.79 HTT (0.42) HTTCTSKTSHRLMNACYP3A4
SCHEMBL7765999 0.77 CTSK (0.33) CTSKCTSSSMN1; SMN2
SCHEMBL7771079 0.77 HTT (0.40) HTTCTSKTSHRLMNACYP3A4
SCHEMBL7771335 0.77 HTT (0.40) HTTTSHRLMNACYP3A4NFKB1
SCHEMBL7769905 0.76 CTSK (0.37) CTSKCTSS
SCHEMBL13777212 0.74 TSHR (0.50) HTTTSHRLMNACYP3A4NFKB1
SCHEMBL12150135 0.71 HTT (0.41) HTTTSHRLMNACYP3A4NFKB1

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