SCHEMBL28097907

SCHEMBL28097907

CC(C)(C)OC(NC=O)C(O)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PGD P52209 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.30
TSHR P16473 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
SCHEMBL4764470 0.77 PGD (0.35) PGDTSHR
SCHEMBL17416331 0.75 ADH1B (0.30)
SCHEMBL4272520 0.75 ADH1B (0.34)
SCHEMBL15327593 0.72 SLC1A3 (0.38)
Hydrochloric Acid SCHEMBL7210373 0.71 SLC1A3 (0.37)
SCHEMBL6289098 0.68 TSHR (0.31) TSHR
SCHEMBL7808944 0.66 MAPT (0.42) TSHR
SCHEMBL11378416 0.66 PGD (0.32) PGD
SCHEMBL1204842 0.66 TSHR (0.35) SLC22A6TSHR
SCHEMBL7491026 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106045962-A Isoxazoline derivatives as pesticidal compounds 先正达参股股份有限公司 2016-10-26 CN disclosed