SCHEMBL28874971

SCHEMBL28874971

C=COC(=O)CC(C)P(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31
LAP3 P28838 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
SCHEMBL328729 0.77 TSHR (0.35) TDP1TSHR
SCHEMBL207282 0.77
SCHEMBL4987205 0.75
SCHEMBL27840050 0.74
SCHEMBL28229084 0.74
SCHEMBL9550690 0.73 MEN1 (0.40) TDP1TSHR
SCHEMBL10011645 0.72 TSHR (0.36) TDP1TSHR
SCHEMBL11749654 0.72 ELANE (0.38) TDP1TSHR
SCHEMBL19506901 0.72
SCHEMBL28620248 0.72 TSHR (0.49) TSHR

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-110035754-A Pass through the local nerve adjustment for the treatment of septicemia and the related inflammatory patient's condition of autonomic nerves system 图拉维治疗股份有限公司 2019-07-19 CN disclosed