SCHEMBL21242698

SCHEMBL21242698

CSN[C@H](C(=O)O)[C@H](C)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
CA2 P00918 3/20 0.34
CA1 P00915 2/20 0.34
MME P08473 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL21844004 1.00 TP53 (0.39) TP53CA2CA1MMEALDH1A1
SCHEMBL27391604 1.00 TP53 (0.39) TP53CA2CA1MMEALDH1A1
SCHEMBL21242713 1.00 TP53 (0.39) TP53CA2CA1MMEALDH1A1
SCHEMBL21844017 0.83 SMN1; SMN2 (0.37) TP53ALDH1A1
SCHEMBL24946361 0.79
SCHEMBL18088383 0.76 ALDH1A1 (0.36) TP53CA2CA1MMEALDH1A1
SCHEMBL29858530 0.74 TP53 (0.47) TP53CA2CA1MMEALDH1A1
SCHEMBL21621510 0.72
SCHEMBL14819886 0.72
SCHEMBL21242710 0.72

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-2758426-B1 NOVEL GLUCAGON ANALOGUES NOVO NORDISK AS (DK) 2019-08-07 EP disclosed