SCHEMBL4597935

SCHEMBL4597935

CC(C)(C)NC(=O)c1ccc(Cl)cc1[C@@H](Cc1cc(F)c(F)cc1F)C(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 7/20 0.40
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
ACVR1B P36896 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
MDM2 Q00987 2/20 0.35
IDO1 P14902 2/20 0.35
EGFR P00533 1/20 0.34
AURKB Q96GD4 1/20 0.34
DPP4 P27487 1/20 0.33
P2RX3 P56373 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 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
SCHEMBL4597310 0.92 ANO1 (0.39) ANO1POLBAPEX1ACVR1BTGFBR1
SCHEMBL4599064 0.90 POLB (0.34) ANO1POLBAPEX1EGFRAURKB
SCHEMBL4598249 0.83 CTSS (0.42) ANO1POLBAPEX1ACVR1BTGFBR1
SCHEMBL4598878 0.81 CTSS (0.43) ANO1
SCHEMBL4602360 0.79 ANO1 (0.41) ANO1ACVR1BTGFBR1ACVRL1EGFR
SCHEMBL4598492 0.79 CTSS (0.41) ANO1ALDH1A1GAAMAPTPKM
SCHEMBL4597933 0.78 ANO1 (0.42) ANO1POLBAPEX1KDM4EALDH1A1
SCHEMBL4919116 0.76 ANO1 (0.40) ANO1POLBAPEX1MDM2DPP4
SCHEMBL4919109 0.76 ANO1 (0.40) ANO1POLBAPEX1MDM2DPP4
SCHEMBL4598164 0.75 CTSS (0.42) ANO1

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