SCHEMBL2913154

SCHEMBL2913154

CC(C)CS(=O)(=O)Nc1ccc(NC(=O)c2cc(N3C(=O)CCNC3=O)cc(C(C)(C)C)c2O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 3/20 0.35
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
MAP1LC3B Q9GZQ8 2/20 0.34
MAP1LC3A Q9H492 2/20 0.34
ITGA4 P13612 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
CFTR P13569 2/20 0.31
KIF18A Q8NI77 4/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CYP26A1 O43174 1/20 0.31

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
SCHEMBL2907832 0.90 BCL2L1 (0.34) BCL2L1BCL2MCL1SIRT5ITGA4
SCHEMBL2915115 0.90 BCL2 (0.37) BCL2ITGA4L3MBTL1POLBKDM4E
SCHEMBL2913166 0.88 XDH (0.38) BCL2L1ITGA4L3MBTL1KDM4EALDH1A1
SCHEMBL2915315 0.88 KIF18A (0.35) BCL2L1BCL2MCL1SIRT5ITGA4
SCHEMBL2913374 0.84 BCL2L1 (0.36) BCL2L1BCL2MCL1SIRT5ITGA4
SCHEMBL2910190 0.84 GPR27 (0.42)
SCHEMBL2908230 0.84 ITGA4 (0.41) ITGA4L3MBTL1POLBALDH1A1HPGD
SCHEMBL2912963 0.83 ALDH1A1 (0.42) BCL2L1BCL2ITGA4L3MBTL1ALDH1A1
SCHEMBL2910683 0.82 ALDH1A1 (0.36) BCL2L1ITGA4L3MBTL1ALDH1A1RAB9A
SCHEMBL2908073 0.82 NR1H4 (0.47) ITGA4L3MBTL1CYP26A1NR1H4

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-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed