SCHEMBL4658244

SCHEMBL4658244

COc1ccc(C(=O)NC(C)(C)C)c(CC(=O)[C@@H](Cc2ccccc2F)NC(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ANO1 Q5XXA6 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
PTPN1 P18031 3/20 0.37
PTPN2 P17706 2/20 0.37
CDC25B P30305 2/20 0.37
PTPN6 P29350 1/20 0.37
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 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
SCHEMBL4658246 1.00 CTSS (0.39) CTSSCTSKANO1ALDH1A1LMNA
SCHEMBL4598490 0.90 CTSS (0.50) CTSSCTSKALDH1A1PTPN1
SCHEMBL4598875 0.80 CTSS (0.52) CTSSCTSKPTPN1
SCHEMBL4656188 0.78 CTSS (0.51) CTSSCTSKANO1ALDH1A1PTPN1
SCHEMBL4656187 0.78 CTSS (0.51) CTSSCTSKANO1ALDH1A1PTPN1
SCHEMBL4598288 0.78 PARP15 (0.40) ANO1ALDH1A1LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL4610508 0.77 PARP15 (0.39) ANO1ALDH1A1LMNAKMT2AMEN1
SCHEMBL4930753 0.76 CTSS (0.44) CTSSCTSKANO1ALDH1A1LMNA
SCHEMBL4930745 0.76 CTSS (0.44) CTSSCTSKANO1ALDH1A1LMNA
SCHEMBL4598159 0.75 CTSS (0.52) CTSSCTSKPTPN1

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-1910274-A1 PHENYL COMPOUNDS Eli Lilly and Company (US) 2008-04-16 EP disclosed
WO-2007015807-A1 PHENYL COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 WO disclosed