SCHEMBL28845173

SCHEMBL28845173

NOC(=O)[C@@H](N)CSSC[C@H](N)C(=O)OCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
CTH P32929 1/20 0.37
CBS P35520 1/20 0.37
THPO P40225 1/20 0.37
THRB P10828 1/20 0.35
KIF11 P52732 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
SCHEMBL27485499 0.92 TSHR (0.37) TSHRCTHCBSTHPOTHRB
SCHEMBL756208 0.86 KIF11 (0.33) KIF11
SCHEMBL1816662 0.82 ARG1 (0.40) KIF11
SCHEMBL27633938 0.76 TSHR (0.40) TSHRCTHCBSTHPOTHRB
SCHEMBL2100344 0.71 TSHR (0.40) TSHRCTHCBSTHPOTHRB
SCHEMBL110807 0.70 ALOX15 (0.42) TSHR
SCHEMBL110806 0.70 ALOX15 (0.42) TSHR
SCHEMBL197220 0.70 PTGS1 (0.52) TSHRCTHCBSTHPOTHRB
SCHEMBL12617351 0.70 TSHR (0.41) TSHR
SCHEMBL28980587 0.70 TSHR (0.39) TSHRCTHCBSTHPOTHRB

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-106860987-A A kind of clean lung device of deep layer and its method of work 圆容生物医药无锡有限公司 2017-06-20 CN disclosed