SCHEMBL9534650

SCHEMBL9534650

CC(O)(CC(N)=O)C(C#N)C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
DPP4 P27487 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
SCHEMBL9534655 0.87 HMGCR (0.40)
SCHEMBL9534645 0.87 KDM4E (0.31) MCL1
SCHEMBL1898374 0.74 DPP4 (0.39) CA1CA2DPP4
SCHEMBL8409023 0.72 CA1 (0.36) MCL1CA1CA2DPP4
SCHEMBL30794442 0.70 PIK3CD (0.39)
SCHEMBL21293612 0.66
SCHEMBL5598275 0.65 ALDH1A1 (0.46)
SCHEMBL5598279 0.65 ALDH1A1 (0.46)
SCHEMBL156638 0.64
SCHEMBL8709491 0.64 HMGCR (0.55)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178106-B1 ENZYMATIC PROCESS NOVO NORDISK A/S (DK) 1993-03-31 EP disclosed
EP-0178106-A2 Enzymatic process NOVO NORDISK A/S (DK) 1986-04-16 EP disclosed