SCHEMBL4656188

SCHEMBL4656188

CC(C)(C)NC(=O)c1ccc(Cl)cc1CC(=O)C(Cc1ccccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.51
CTSK P43235 2/20 0.51
PTPN1 P18031 1/20 0.43
SCN9A Q15858 11/20 0.43
ANO1 Q5XXA6 2/20 0.42
ACE P12821 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
MC4R P32245 1/20 0.39
CTSL P07711 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL4656187 1.00 CTSS (0.51) CTSSCTSKPTPN1SCN9AANO1
SCHEMBL4598248 0.93 CTSS (0.51) CTSSCTSKPTPN1SCN9AANO1
SCHEMBL4597309 0.91 SCN9A (0.42) CTSSCTSKPTPN1SCN9AANO1
SCHEMBL4598875 0.91 CTSS (0.52) CTSSCTSKPTPN1SCN9AACE
SCHEMBL4597933 0.90 ANO1 (0.42) CTSSCTSKPTPN1SCN9AANO1
SCHEMBL4598490 0.89 CTSS (0.50) CTSSCTSKPTPN1SCN9AACE
SCHEMBL4598159 0.85 CTSS (0.52) CTSSCTSKPTPN1SCN9AACE
SCHEMBL4924335 0.84 CTSS (0.44) CTSSCTSKPTPN1SCN9AANO1
SCHEMBL4924346 0.84 CTSS (0.44) CTSSCTSKPTPN1SCN9AANO1
SCHEMBL4598158 0.84 CTSS (0.52) CTSSCTSKPTPN1SCN9AACE

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