SCHEMBL21982014

SCHEMBL21982014

COC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 5/20 0.44
ATM Q13315 2/20 0.44
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 4/20 0.43
POLB P06746 3/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
CTSK P43235 2/20 0.41
CTSS P25774 1/20 0.41
CAPN1 P07384 1/20 0.40

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
SCHEMBL21982015 1.00 MEN1 (0.52) MEN1KMT2AGAATDP1ATM
SCHEMBL19986282 1.00 MEN1 (0.52) MEN1KMT2AGAATDP1ATM
SCHEMBL31206803 0.96 TDP1 (0.48) MEN1KMT2AGAATDP1ATM
SCHEMBL19971940 0.88 MEN1 (0.61) MEN1KMT2AGAATDP1ATM
SCHEMBL19971939 0.88 MEN1 (0.61) MEN1KMT2AGAATDP1ATM
SCHEMBL19971937 0.88 MEN1 (0.48) MEN1KMT2AGAATDP1ATM
SCHEMBL19971936 0.88 MEN1 (0.48) MEN1KMT2AGAATDP1ATM
SCHEMBL10067547 0.87 MEN1 (0.47) MEN1KMT2AGAATDP1ATM
SCHEMBL30186579 0.86 MEN1 (0.60) MEN1KMT2AGAATDP1ATM
SCHEMBL8602068 0.86 TDP1 (0.48) MEN1KMT2AGAATDP1ATM

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-3274360-B1 SOLUTION PHASE METHOD FOR PREPARING ETELCALCETIDE AMGEN INC (US) 2020-05-06 EP disclosed