SCHEMBL29918740

SCHEMBL29918740

CCOC(=O)C(=[N+]=[N-])C(=O)[C@H](C)C(C)(C)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.31
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
GLO1 Q04760 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
SCHEMBL23462063 1.00 MMP8 (0.31) MMP8PKMNPSR1GLO1
SCHEMBL23461547 0.85
SCHEMBL23461546 0.85
SCHEMBL23461670 0.85
SCHEMBL30099966 0.85
SCHEMBL26326766 0.85
SCHEMBL19669784 0.81 ALDH1A1 (0.34) NPSR1GLO1
SCHEMBL12041111 0.78 NPSR1 (0.32) NPSR1GLO1
SCHEMBL2204826 0.76 ALDH1A1 (0.43) NPSR1GLO1
SCHEMBL2253759 0.76 ALDH1A1 (0.33) NPSR1GLO1

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
EP-4069691-A1 SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2022-10-12 EP disclosed