SCHEMBL7769334

SCHEMBL7769334

[NH]C(=O)OCCCCCCl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
NAAA Q02083 1/20 0.35
EPHX1 P07099 1/20 0.33
ACHE P22303 6/20 0.32
HCAR2 Q8TDS4 1/20 0.31
RAD52 P43351 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1766712 0.98
SCHEMBL7765953 0.90
SCHEMBL29158988 0.80 TSHR (0.41) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL11806357 0.80 TSHR (0.41) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL995683 0.79
SCHEMBL27602894 0.78 TSHR (0.39) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL28343443 0.78 TSHR (0.39) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL5463696 0.77 ALDH1A1 (0.37) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL10845203 0.76 ALDH1A1 (0.56) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL4620117 0.76 NAAA (0.61) TSHRALDH1A1NAAAEPHX1ACHE

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