SCHEMBL4598249

SCHEMBL4598249

CC(C)(C)NC(=O)c1cc(Cl)ccc1[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
ACVR1B P36896 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
KCNA5 P22460 1/20 0.38
ANO1 Q5XXA6 3/20 0.37
PTPN1 P18031 1/20 0.36
MDM2 Q00987 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
IDO1 P14902 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4598164 0.90 CTSS (0.42) CTSSCTSKKCNA5ANO1PTPN1
SCHEMBL4598878 0.86 CTSS (0.43) CTSSCTSKKCNA5ANO1PTPN1
SCHEMBL4597310 0.84 ANO1 (0.39) ACVR1BTGFBR1ACVRL1ANO1MDM2
SCHEMBL4598492 0.83 CTSS (0.41) CTSSCTSKKCNA5ANO1PTPN1
SCHEMBL4598162 0.83 CTSS (0.42) CTSSCTSKPTPN1POLBMEN1
SCHEMBL4597935 0.83 ANO1 (0.40) ACVR1BTGFBR1ACVRL1ANO1MDM2
SCHEMBL4596927 0.80 CTSS (0.43) CTSSCTSKKCNA5ANO1PTPN1
SCHEMBL4602360 0.80 ANO1 (0.41) ACVR1BTGFBR1ACVRL1ANO1SMN1; SMN2
SCHEMBL4601576 0.80 CTSS (0.42) CTSSCTSKKCNA5ANO1PTPN1
SCHEMBL4598248 0.78 CTSS (0.51) CTSSCTSKANO1PTPN1PKM

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