SCHEMBL2910683

SCHEMBL2910683

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
ENPP1 P22413 3/20 0.35
ENPP3 O14638 2/20 0.35
ITGA4 P13612 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDH1 O75874 2/20 0.35
F10 P00742 2/20 0.34
BCL2L1 Q07817 1/20 0.34
CFTR P13569 2/20 0.33
USP28 Q96RU2 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL2910755 0.90 MAPT (0.38) ALDH1A1ENPP1ENPP3ITGA4L3MBTL1
SCHEMBL2913166 0.88 XDH (0.38) ALDH1A1ITGA4L3MBTL1BCL2L1CFTR
SCHEMBL2910962 0.85 RAB9A (0.39) ALDH1A1L3MBTL1LMNATSHRMAPT
SCHEMBL2912963 0.85 ALDH1A1 (0.42) ALDH1A1ITGA4L3MBTL1BCL2L1CFTR
SCHEMBL2906969 0.84 ALDH1A1 (0.36) ALDH1A1ITGA4L3MBTL1F10LMNA
SCHEMBL2915626 0.84 ITGA4 (0.34) ALDH1A1ITGA4L3MBTL1F10GAA
SCHEMBL2913446 0.83 ALDH1A1 (0.36) ALDH1A1ITGA4L3MBTL1BCL2L1CFTR
SCHEMBL2915315 0.83 KIF18A (0.35) ITGA4L3MBTL1F10BCL2L1NR1H4
SCHEMBL2910190 0.83 GPR27 (0.42)
SCHEMBL2913374 0.83 BCL2L1 (0.36) ALDH1A1ITGA4L3MBTL1BCL2L1CFTR

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