SCHEMBL9978699

SCHEMBL9978699

CCOC(=O)C1CC(OC(=O)N2Cc3cccc(F)c3C2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
UCHL1 P09936 1/20 0.38
NR1D1 P20393 3/20 0.37
NAMPT P43490 1/20 0.37
PRMT5 O14744 4/20 0.36
WDR77 Q9BQA1 4/20 0.36
HPGDS O60760 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
P2RX3 P56373 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TRAP1 Q12931 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
SCHEMBL9978696 1.00 DDB1 (0.41) DDB1CRBNDPP8DPP9DPP7
SCHEMBL14963381 0.90 DDB1 (0.42) DDB1CRBNDPP8DPP9DPP7
SCHEMBL4655478 0.90 DDB1 (0.42) DDB1CRBNDPP8DPP9DPP7
SCHEMBL6913773 0.90 DDB1 (0.42) DDB1CRBNDPP8DPP9DPP7
SCHEMBL2805310 0.90 DDB1 (0.42) DDB1CRBNDPP8DPP9DPP7
SCHEMBL4261537 0.89 DPP8 (0.41) DPP8DPP9DPP7NR1D1HRH3
SCHEMBL14963380 0.88 DDB1 (0.43) DDB1CRBNDPP8DPP9DPP7
SCHEMBL2154075 0.88 DDB1 (0.43) DDB1CRBNDPP8DPP9DPP7
SCHEMBL6912998 0.88 DDB1 (0.43) DDB1CRBNDPP8DPP9DPP7
SCHEMBL1082163 0.88 DDB1 (0.43) DDB1CRBNDPP8DPP9DPP7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011150190-A2 HCV INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed