SCHEMBL2907963

SCHEMBL2907963

CC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(C(=O)O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
NISCH Q9Y2I1 2/20 0.32
MCL1 Q07820 1/20 0.31
TDP1 Q9NUW8 3/20 0.31
PTGS1 P23219 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30
AR P10275 1/20 0.30
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL2912406 0.87 ALDH1A1 (0.35) KDM4EALDH1A1CYP1A2CYP2C9TDP1
SCHEMBL2916134 0.84 MEN1 (0.34) MEN1KMT2A
SCHEMBL2912963 0.84 ALDH1A1 (0.42) ALDH1A1MEN1LMNATSHRKMT2A
SCHEMBL2915264 0.83 MAOB (0.37) KDM4EALDH1A1MEN1LMNAKMT2A
SCHEMBL2908073 0.79 NR1H4 (0.47) MEN1KMT2A
SCHEMBL2913419 0.78 ADORA2A (0.42) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL2913166 0.78 XDH (0.38) KDM4EALDH1A1HPGDMEN1LMNA
SCHEMBL2907837 0.77 KDM4E (0.41) KDM4EALDH1A1MEN1LMNAPTGS2
SCHEMBL2910291 0.77 CNR2 (0.38) KDM4EALDH1A1MEN1LMNAADRA1A
SCHEMBL2907825 0.76 ALDH1A1 (0.34) KDM4EALDH1A1HPGDMEN1KMT2A

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