SCHEMBL9437613

SCHEMBL9437613

C=CC(O)CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
CTSK P43235 5/20 0.41
SYK P43405 1/20 0.38
SERPINE1 P05121 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP2D6 P10635 1/20 0.37
CTSS P25774 2/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL16967812 1.00 MEN1 (0.44) MEN1GAAKMT2ATDP1CTSK
SCHEMBL27397806 1.00 MEN1 (0.44) MEN1GAAKMT2ATDP1CTSK
SCHEMBL14941209 0.84 CTSK (0.49) MEN1GAAKMT2ATDP1CTSK
SCHEMBL23572511 0.83 MEN1 (0.53) MEN1GAAKMT2ATDP1CTSK
SCHEMBL22644678 0.83 MEN1 (0.41) MEN1GAAKMT2ATDP1CTSK
SCHEMBL12621511 0.82 MEN1 (0.44) MEN1GAAKMT2ATDP1CTSK
SCHEMBL27504224 0.82 MEN1 (0.44) MEN1GAAKMT2ATDP1CTSK
SCHEMBL18508305 0.82 MEN1 (0.44) MEN1GAAKMT2ATDP1CTSK
SCHEMBL6339388 0.80 MEN1 (0.62) MEN1GAAKMT2ATDP1CA1
SCHEMBL21293800 0.79 MEN1 (0.47) MEN1GAAKMT2ATDP1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106661084-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2021-08-31 CN disclosed
WO-2015179441-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2015-11-26 WO disclosed
US-5340802-A Central nervous system disorders ABBOTT LABORATORIES (US) 1994-08-23 US disclosed
EP-0405506-A1 Tetrapeptide type-B CCK receptor ligands ABBOTT LABORATORIES (US) 1991-01-02 EP disclosed