SCHEMBL2906969

SCHEMBL2906969

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
HTT P42858 3/20 0.36
PLAU P00749 2/20 0.34
ITGA4 P13612 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 5/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
LMNA P02545 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
F10 P00742 2/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 2/20 0.33
MAPK1 P28482 2/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK8 P49336 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
SCHEMBL2916146 0.90 ALDH1A1 (0.38) ALDH1A1HTTITGA4L3MBTL1MAPT
SCHEMBL2915626 0.87 ITGA4 (0.34) ALDH1A1HTTITGA4L3MBTL1MAPT
SCHEMBL2910683 0.84 ALDH1A1 (0.36) ALDH1A1ITGA4L3MBTL1MAPTLMNA
SCHEMBL2912963 0.84 ALDH1A1 (0.42) ALDH1A1ITGA4L3MBTL1KMT2AMEN1
SCHEMBL2908073 0.82 NR1H4 (0.47) ITGA4L3MBTL1KMT2AMEN1TP53
SCHEMBL2913166 0.81 XDH (0.38) ALDH1A1HTTITGA4L3MBTL1KMT2A
SCHEMBL2913374 0.81 BCL2L1 (0.36) ALDH1A1ITGA4L3MBTL1
SCHEMBL1530583 0.81 AURKB (0.45) ALDH1A1HTTPLAUMAPTKMT2A
SCHEMBL2915315 0.80 KIF18A (0.35) ITGA4L3MBTL1F10POLB
SCHEMBL2907832 0.79 BCL2L1 (0.34) ITGA4L3MBTL1POLB

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