SCHEMBL7093260

SCHEMBL7093260

COC(=O)C(Cc1cc(Cl)c(OC(N)CCC(=O)OC(C)(C)C)c(Cl)c1)=NOCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.35
CA1 P00915 8/20 0.35
LTA4H P09960 1/20 0.34
CA9 Q16790 7/20 0.34
CA12 O43570 5/20 0.33
LMNA P02545 1/20 0.33
ACE P12821 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CTSL P07711 1/20 0.31

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
SCHEMBL7093259 0.81 LTA4H (0.43) CA2CA1LTA4HCA9CA12
SCHEMBL7093257 0.76 MAPT (0.39) CA2CA1CA9CA12LMNA
SCHEMBL7093258 0.76 MAPT (0.39) CA2CA1CA9CA12LMNA
SCHEMBL7089757 0.75 CA2 (0.44) CA2CA1CA9CA12LMNA
SCHEMBL7089756 0.75 CA2 (0.44) CA2CA1CA9CA12LMNA
SCHEMBL7092581 0.67 CA2 (0.59) CA2CA1CA9CA12LMNA
SCHEMBL7092580 0.67 CA2 (0.59) CA2CA1CA9CA12LMNA
SCHEMBL7091721 0.67 CA2 (0.48) CA2CA1CA9CA12LMNA
SCHEMBL7091722 0.67 CA2 (0.48) CA2CA1CA9CA12LMNA
SCHEMBL7092445 0.66 NPFFR1 (0.39) CA2CA1CA9CA12

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-2003087127-A2 ANTIMICROBIAL COMPOUNDS AGAINST STAPHYLOCOCCI, MYCOBACTERIA, AND OTHER INFECTIOUS AGENTS EXEGENICS INC. (US) 2003-10-23 WO disclosed