SCHEMBL2907136

SCHEMBL2907136

COc1c(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.38
ITGA4 P13612 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRKDC P78527 1/20 0.37
NAMPT P43490 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
DHODH Q02127 1/20 0.35
LEF1 Q9UJU2 1/20 0.35
F10 P00742 1/20 0.34
MAPT P10636 4/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CFTR P13569 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
NR1I3 Q14994 1/20 0.34
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2913384 0.94 NR1H4 (0.40) NR1H4ITGA4L3MBTL1DHODHF10
SCHEMBL2915054 0.90 NR1H4 (0.40) NR1H4ITGA4L3MBTL1DHODHF10
SCHEMBL2913600 0.90 NR1H4 (0.40) NR1H4ITGA4L3MBTL1DHODHF10
SCHEMBL2909795 0.89 NR1H4 (0.39) NR1H4ITGA4L3MBTL1DHODHF10
SCHEMBL2917122 0.88 MAPT (0.42) NR1H4ITGA4L3MBTL1DHODHF10
SCHEMBL2907824 0.87 MAPT (0.39) NR1H4ITGA4L3MBTL1RXFP1MAPT
SCHEMBL2910598 0.86 NR1H4 (0.56) NR1H4MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL2910755 0.85 MAPT (0.38) NR1H4ITGA4L3MBTL1DHODHF10
SCHEMBL2913332 0.84 SMN1; SMN2 (0.41) NR1H4ITGA4L3MBTL1DHODHF10
SCHEMBL2916146 0.84 ALDH1A1 (0.38) NR1H4ITGA4L3MBTL1DHODHF10

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