SCHEMBL28255331

SCHEMBL28255331

O=C(O)C(O)C(ON1C(=O)CCC1=O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
PARL Q9H300 1/20 0.31
MGLL Q99685 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
SCHEMBL230241 0.88 PARL (0.34) ALDH1A1PKMPARLMGLL
SCHEMBL379296 0.88 PARL (0.34) ALDH1A1PKMPARLMGLL
SCHEMBL1162512 0.78 MEN1 (0.34) TSHR
SCHEMBL108457 0.73 TSHR (0.39) TSHRNFKB1CYP2C19ALDH1A1PKM
SCHEMBL108464 0.73 TSHR (0.39) TSHRNFKB1CYP2C19ALDH1A1PKM
SCHEMBL9150133 0.72 ALDH1A1 (0.33) ALDH1A1PKMPARL
SCHEMBL1140513 0.72 ALDH1A1 (0.33) ALDH1A1PKMPARL
SCHEMBL9513159 0.71
SCHEMBL11989420 0.69 PARL (0.31) TSHRPARL
Cadaverine Tartrate SCHEMBL28201992 0.69 TSHR (0.48) TSHRNFKB1CYP2C19ALDH1A1PKM

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-105131104-B The reconstruct and sugar conjugation of peptide 诺和诺德公司 2018-11-16 CN disclosed