SCHEMBL20179267

SCHEMBL20179267

CC(=O)Oc1ccc(CONC(=O)CCC(Cc2cccc(-c3cccc(C(O)OC(C)(C)C)c3)c2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.37
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
F9 P00740 1/20 0.32
SLC7A5 Q01650 1/20 0.31
FOLH1 Q04609 2/20 0.31
YAP1 P46937 2/20 0.31
HPGD P15428 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
BACE1 P56817 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL20179173 0.86 SLC7A5 (0.44) LTA4HCTSBCTSSCTSKSLC7A5
SCHEMBL21570571 0.86 LMNA (0.46) LTA4HCTSBCTSSCTSKSLC7A5
SCHEMBL20168691 0.83 FOLH1 (0.47) LTA4HSLC7A5FOLH1LMNAGAA
SCHEMBL20179186 0.83 SLC7A5 (0.49) LTA4HSLC7A5FOLH1KMT2ALMNA
SCHEMBL20168291 0.78 FOLH1 (0.50) LTA4HFOLH1POLBLMNA
SCHEMBL20179243 0.78 FOLH1 (0.42) LTA4HSLC7A5FOLH1POLBLMNA
SCHEMBL21577931 0.78 SLC7A5 (0.45) LTA4HCTSBCTSSCTSKSLC7A5
SCHEMBL21577906 0.77 LMNA (0.50) FOLH1HPGDLMNAGAA
SCHEMBL20179218 0.77 LMNA (0.50) FOLH1HPGDLMNAGAA
SCHEMBL20179268 0.77 LMNA (0.50) FOLH1HPGDLMNAGAA

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-2018094334-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2018-05-24 WO disclosed