SCHEMBL28230790

SCHEMBL28230790

CC(C)(C)OC(=O)NCCC(=O)NC(CO)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.46
ACE P12821 1/20 0.46
TGFBR1 P36897 2/20 0.41
CAPN1 P07384 1/20 0.41
MME P08473 2/20 0.40
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
EPHX1 P07099 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
FOLH1 Q04609 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL18764728 0.87 TDP1 (0.45) MEN1GAAKMT2ATDP1ACE
SCHEMBL9980668 0.86 CAPN1 (0.54) MEN1GAAKMT2ATDP1ACE
SCHEMBL16765446 0.85 MEN1 (0.46) MEN1GAAKMT2ATDP1ACE
SCHEMBL16790408 0.85 MEN1 (0.46) MEN1GAAKMT2ATDP1ACE
SCHEMBL31488854 0.82 MEN1 (0.44) MEN1GAAKMT2ATDP1ACE
SCHEMBL25968310 0.82 KMT2A (0.54) MEN1GAAKMT2ATDP1ACE
SCHEMBL9980629 0.82 KMT2A (0.54) MEN1GAAKMT2ATDP1ACE
SCHEMBL47290 0.81 TGFBR1 (0.52) MEN1GAAKMT2AACETGFBR1
SCHEMBL47301 0.81 TGFBR1 (0.52) MEN1GAAKMT2AACETGFBR1
SCHEMBL315980 0.81 TGFBR1 (0.52) MEN1GAAKMT2AACETGFBR1

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
CN-108290878-A NOVEL FERROPORTIN INHIBITORS 威佛(国际)股份公司 2018-07-17 CN disclosed