SCHEMBL20934754

SCHEMBL20934754

CC(C)C(=O)N(C)C[C@H](O)CO

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TYMP P19971 1/20 0.32
DPP4 P27487 1/20 0.31
PREP P48147 1/20 0.31
FAP Q12884 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
SCHEMBL16750127 1.00 LMNA (0.33) LMNAALDH1A1TDP1TYMPDPP4
SCHEMBL13691106 0.80 DPP4 (0.32) DPP4
SCHEMBL14679340 0.80 DPP4 (0.32) DPP4
SCHEMBL5515580 0.79 DPP4 (0.31) DPP4
SCHEMBL12112085 0.78 LMNA (0.42) LMNATDP1DPP4
SCHEMBL1063255 0.77 LMNA (0.36) LMNAALDH1A1TYMP
SCHEMBL1712997 0.77 CYP2C19 (0.37) LMNAALDH1A1TYMP
SCHEMBL10127581 0.77 CA1 (0.41) ALDH1A1TDP1DPP4PREPFAP
SCHEMBL2746046 0.75 DPP4 (0.53) DPP4
SCHEMBL17703490 0.74 LMNA (0.33) LMNAALDH1A1TYMP

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
WO-2019079373-A1 PYRIMIDINE TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-04-25 WO disclosed