SCHEMBL2907832

SCHEMBL2907832

CC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(C(=O)Nc2ccc(NS(=O)(=O)CC(F)(F)F)cc2)c1O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.34
ITGA4 P13612 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
KIF18A Q8NI77 6/20 0.32
POLB P06746 1/20 0.32
CFTR P13569 3/20 0.31
PGR P06401 1/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 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
SCHEMBL2913154 0.90 BCL2L1 (0.35) BCL2L1ITGA4L3MBTL1BCL2MCL1
SCHEMBL2913182 0.90 NR1H4 (0.36) ITGA4L3MBTL1BCL2SCN10AKIF18A
SCHEMBL2913166 0.88 XDH (0.38) BCL2L1ITGA4L3MBTL1KIF18ACFTR
SCHEMBL2915315 0.88 KIF18A (0.35) BCL2L1ITGA4L3MBTL1BCL2MCL1
SCHEMBL2910190 0.84 GPR27 (0.42)
SCHEMBL2913374 0.84 BCL2L1 (0.36) BCL2L1ITGA4L3MBTL1BCL2MCL1
SCHEMBL2908230 0.84 ITGA4 (0.41) ITGA4L3MBTL1POLB
SCHEMBL2912963 0.83 ALDH1A1 (0.42) BCL2L1ITGA4L3MBTL1BCL2CFTR
SCHEMBL2910683 0.82 ALDH1A1 (0.36) BCL2L1ITGA4L3MBTL1CFTR
SCHEMBL2908073 0.82 NR1H4 (0.47) ITGA4L3MBTL1

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