SCHEMBL31270772

SCHEMBL31270772

COC(=O)CN(C)C(=O)CN(C)C(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.41
CA2 P00918 2/20 0.41
CA14 Q9ULX7 2/20 0.41
TDP1 Q9NUW8 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
EPHX2 P34913 1/20 0.33
TET2 Q6N021 1/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 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
SCHEMBL31270901 0.97 CA12 (0.43) CA12CA2CA14TDP1CTSL
SCHEMBL31271463 0.86 CTSS (0.40) CA12CA2TDP1CTSLCTSB
SCHEMBL9055377 0.85 CA12 (0.46) CA12CA2CA14TDP1MAOA
SCHEMBL1456111 0.83 MEN1 (0.41) CA12CA2CA14TDP1CTSL
SCHEMBL20807173 0.82 TDP1 (0.44) CA12CA2CA14TDP1MAOA
SCHEMBL21071237 0.81 KDM4E (0.37) CA12CA2CA14CTSLCTSB
SCHEMBL21070174 0.81 KDM4E (0.37) CA12CA2CA14CTSLCTSB
SCHEMBL21887790 0.79 MEN1 (0.43) CA12CA2CA14TDP1CTSL
SCHEMBL523837 0.78 CA2 (0.59) CA12CA2CA14TDP1MAOA
SCHEMBL409603 0.78 CA12 (0.40) CA12CA2CA14TDP1CTSL

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-2024220676-A1 MRNA DEGRADERS AND METHODS OF USE THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-10-24 WO disclosed