SCHEMBL9800522

SCHEMBL9800522

CC(C)(C)OC(=O)NCCN(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 2/20 0.39
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
IDO1 P14902 1/20 0.35
CA14 Q9ULX7 1/20 0.34
EPHX1 P07099 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
SUCNR1 Q9BXA5 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL8911004 0.81 SYK (0.47) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL27816443 0.81 MEN1 (0.49) MEN1GAAKMT2ATDP1CA12
SCHEMBL27795533 0.81 MEN1 (0.49) MEN1GAAKMT2ATDP1CA12
SCHEMBL15641611 0.81 MEN1 (0.46) MEN1GAAKMT2ATDP1CA12
SCHEMBL15641585 0.79 MEN1 (0.44) MEN1GAAKMT2ATDP1CA12
SCHEMBL15641590 0.79 MEN1 (0.44) MEN1GAAKMT2ATDP1CA12
Acetic Acid SCHEMBL4858065 0.77 MEN1 (0.42) MEN1GAAKMT2ATDP1CA12
SCHEMBL15641614 0.76 MEN1 (0.47) MEN1GAAKMT2ATDP1CA12
SCHEMBL14043519 0.75 MEN1 (0.44) MEN1GAAKMT2ATDP1CA12
SCHEMBL28686971 0.74 HDAC6 (0.33) MEN1GAAKMT2A

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-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP disclosed