SCHEMBL4596927

SCHEMBL4596927

Cc1cccc([C@@H](Cc2ccccc2F)C(=O)CNC(=O)OC(C)(C)C)c1C(=O)NC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
PTPN1 P18031 1/20 0.37
SCN9A Q15858 9/20 0.35
ANO1 Q5XXA6 2/20 0.33
KCNA5 P22460 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
EPHX2 P34913 1/20 0.32

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
SCHEMBL4598162 0.90 CTSS (0.42) CTSSCTSKPTPN1SCN9AKDM4E
SCHEMBL4598164 0.83 CTSS (0.42) CTSSCTSKPTPN1SCN9AANO1
SCHEMBL4598878 0.82 CTSS (0.43) CTSSCTSKPTPN1SCN9AANO1
SCHEMBL4598249 0.80 CTSS (0.42) CTSSCTSKPTPN1SCN9AANO1
SCHEMBL4598492 0.80 CTSS (0.41) CTSSCTSKPTPN1SCN9AANO1
SCHEMBL4601576 0.79 CTSS (0.42) CTSSCTSKPTPN1SCN9AANO1
SCHEMBL4596925 0.78 CTSS (0.53) CTSSCTSKPTPN1SCN9ASCN10A
SCHEMBL4917991 0.76 CTSS (0.46) CTSSCTSKPTPN1SCN9ASCN10A
SCHEMBL4917998 0.76 CTSS (0.46) CTSSCTSKPTPN1SCN9ASCN10A
SCHEMBL4600120 0.74 CTSS (0.48) CTSSCTSKPTPN1SCN9ASCN10A

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