SCHEMBL13247486

SCHEMBL13247486

CC(C)(C)OC(=O)N(CC(=O)O)c1cc(Cl)c(Cl)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
HTT P42858 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ATM Q13315 1/20 0.31
GAA P10253 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 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
SCHEMBL13247764 0.86 L3MBTL1 (0.37) CACNA1GCACNA1BCACNA1CKDM4EMAPT
SCHEMBL13248095 0.85 HIF1A (0.38) HIF1AITGB1ITGA4ALDH1A1L3MBTL1
SCHEMBL13248098 0.81 CACNA1G (0.39) CACNA1GCACNA1BCACNA1CNR1H2NR1H3
SCHEMBL4499651 0.79 POLB (0.43) MAPTLMNAPOLBALDH1A1L3MBTL1
SCHEMBL29943820 0.76 BCL2A1 (0.39) HIF1AITGB1ITGA4POLBGAA
SCHEMBL4832843 0.76 BCL2A1 (0.39) HIF1AITGB1ITGA4POLBGAA
SCHEMBL8313937 0.75 SMN1; SMN2 (0.40) ITGB1ITGA4LMNAALDH1A1L3MBTL1
SCHEMBL13248101 0.71 NFKB1 (0.37) MAPTHTTALDH1A1L3MBTL1
SCHEMBL4832911 0.70 LMNA (0.41) HIF1AKDM4EHTTLMNAPOLB
SCHEMBL11531092 0.70 CA2 (0.40) ITGB1ITGA4ALDH1A1L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010087399-A1 UROTENSIN-II RECEPTOR ANTAGONISTS 第一三共株式会社 (JP) 2010-08-05 WO disclosed