SCHEMBL7769348

SCHEMBL7769348

CCC(NC(=O)OCC(F)(F)F)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
ADRA1A P35348 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTSK P43235 7/20 0.34
CTSS P25774 3/20 0.34
CNR2 P34972 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
PLA2G2C Q5R387 1/20 0.32
CAD P27708 1/20 0.32
CTSL P07711 3/20 0.32
PDF Q9HBH1 1/20 0.32
CTSB P07858 1/20 0.32
CTSH P09668 1/20 0.32
CAPN1 P07384 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
SCHEMBL3805990 0.84 CNR2 (0.46) TSHRHTTLMNACYP3A4NFKB1
SCHEMBL7769375 0.84 CNR2 (0.46) TSHRHTTLMNACYP3A4NFKB1
SCHEMBL7769345 0.83 HTT (0.40) TSHRHTTLMNACYP3A4NFKB1
SCHEMBL7771085 0.80 CAD (0.43) TSHRHTTLMNACYP3A4NFKB1
SCHEMBL3813384 0.80 TSHR (0.40) TSHRHTTLMNACYP3A4NFKB1
SCHEMBL27762457 0.80 TSHR (0.40) TSHRHTTLMNACYP3A4NFKB1
SCHEMBL7766030 0.79 HTT (0.42) TSHRHTTLMNACYP3A4NFKB1
SCHEMBL3807501 0.79 HTT (0.42) TSHRHTTLMNACYP3A4NFKB1
SCHEMBL7766007 0.77 CAD (0.34) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL7771339 0.77 CNR2 (0.44) TSHRHTTLMNACYP3A4NFKB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1077110-C 13-substituted milbemycin 5-oxime derivatives their preparation and their use against insects and other pests SANKYO CO (JP) 2002-01-02 CN disclosed
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
CN-1153177-A 13-substituted milbemycin 5-oxime derivatives their preparation and their use against insects and other pests SANKYO CO (JP) 1997-07-02 CN 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