SCHEMBL14404875

SCHEMBL14404875

COc1ccc([C@H](NC(=O)OC(C)(C)C)[C@@H](NC(=O)OCc2ccccc2)C(=O)OCCSC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
SYK P43405 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
PLAU P00749 1/20 0.42
KLK7 P49862 1/20 0.41
CACNA1B Q00975 1/20 0.40
KLK5 Q9Y337 1/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
CNR2 P34972 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL14404880 1.00 ATM (0.47) ATMSYKCA1CA2ACHE
SCHEMBL12292863 0.89 ATM (0.54) ATMSYKCA1CA2ACHE
SCHEMBL12293236 0.89 ATM (0.54) ATMSYKCA1CA2ACHE
SCHEMBL13723091 0.88 SYK (0.47) ATMSYKCA1CA2ACHE
SCHEMBL13722612 0.88 SYK (0.47) ATMSYKCA1CA2ACHE
SCHEMBL13723080 0.87 ATM (0.56) ATMSYKCA1CA2ACHE
SCHEMBL12292859 0.87 ATM (0.56) ATMSYKCA1CA2ACHE
SCHEMBL12292858 0.87 ATM (0.56) ATMSYKCA1CA2ACHE
SCHEMBL16313838 0.83 ATM (0.52) ATMCA1CA2ACHEPLAU
SCHEMBL16357949 0.83 ATM (0.52) ATMCA1CA2ACHEPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 EP disclosed
WO-2007118691-A1 LYSOBACTIN AMIDES AICURIS GMBH & CO. KG (DE) 2007-10-25 WO disclosed