SCHEMBL4597310

SCHEMBL4597310

CC(C)(C)NC(=O)c1ccc(Cl)cc1[C@@H](Cc1cc(F)ccc1F)C(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 7/20 0.39
ACVR1B P36896 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
MDM2 Q00987 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
IDO1 P14902 2/20 0.35
GPR119 Q8TDV5 1/20 0.34
EGFR P00533 1/20 0.34
AURKB Q96GD4 1/20 0.34
SCN9A Q15858 2/20 0.34
AAK1 Q2M2I8 1/20 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
SCHEMBL4597935 0.92 ANO1 (0.40) ANO1ACVR1BTGFBR1ACVRL1MDM2
SCHEMBL4598878 0.88 CTSS (0.43) ANO1SCN9A
SCHEMBL4598249 0.84 CTSS (0.42) ANO1ACVR1BTGFBR1ACVRL1MDM2
SCHEMBL4599064 0.82 POLB (0.34) ANO1POLBAPEX1EGFRAURKB
SCHEMBL4600646 0.81 SCN9A (0.41) ANO1GPR119SCN9A
SCHEMBL4602360 0.80 ANO1 (0.41) ANO1ACVR1BTGFBR1ACVRL1EGFR
SCHEMBL4598492 0.80 CTSS (0.41) ANO1SCN9A
SCHEMBL4597309 0.78 SCN9A (0.42) ANO1SCN9A
SCHEMBL4598164 0.76 CTSS (0.42) ANO1GPR119SCN9AAAK1
SCHEMBL4926805 0.76 ANO1 (0.40) ANO1MDM2POLBAPEX1SCN9A

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