SCHEMBL4598162

SCHEMBL4598162

CC(C)(C)NC(=O)c1c(Cl)cccc1[C@@H](Cc1ccccc1F)C(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
LMNA P02545 4/20 0.39
PTPN1 P18031 1/20 0.36
SCN9A Q15858 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
MET P08581 1/20 0.34
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
HPGD P15428 2/20 0.33

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
SCHEMBL4596927 0.90 CTSS (0.43) CTSSCTSKPTPN1SCN9AMEN1
SCHEMBL4598249 0.83 CTSS (0.42) CTSSCTSKLMNAPTPN1SCN9A
SCHEMBL4598878 0.81 CTSS (0.43) CTSSCTSKPTPN1SCN9AMET
SCHEMBL4598164 0.80 CTSS (0.42) CTSSCTSKPTPN1SCN9ARAB9A
SCHEMBL4598492 0.79 CTSS (0.41) CTSSCTSKLMNAPTPN1SCN9A
SCHEMBL4598158 0.78 CTSS (0.52) CTSSCTSKLMNAPTPN1SCN9A
SCHEMBL4601576 0.77 CTSS (0.42) CTSSCTSKLMNAPTPN1SCN9A
SCHEMBL4929526 0.76 CTSK (0.46) CTSSCTSKLMNAPTPN1SCN9A
SCHEMBL4929520 0.76 CTSK (0.46) CTSSCTSKLMNAPTPN1SCN9A
SCHEMBL4600120 0.73 CTSS (0.48) CTSSCTSKLMNAPTPN1SCN9A

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