SCHEMBL8218968

SCHEMBL8218968

CC1=C(C(=O)O)C(c2ccccc2Br)C(C2OC(C)O2)=C(C)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CACNA1F O60840 2/20 0.34
CACNA1D Q01668 2/20 0.34
CACNA1S Q13698 2/20 0.34
CACNA1C Q13936 2/20 0.34
GALK1 P51570 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ABCC4 O15439 1/20 0.33
PLIN1 O60240 1/20 0.33
GMNN O75496 1/20 0.33
KCNK2 O95069 1/20 0.33
ABCB11 O95342 1/20 0.33
GSR P00390 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 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
SCHEMBL8224367 0.88 CACNA1B (0.35) CACNA1BKMT2ACACNA1FCACNA1DCACNA1S
SCHEMBL8222581 0.87 KDM4E (0.48) CACNA1BKMT2AMEN1CACNA1FCACNA1D
SCHEMBL8222248 0.86 GAA (0.43) CACNA1BKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8225874 0.85 CACNA1F (0.51) KMT2AMEN1CACNA1FCACNA1DCACNA1S
SCHEMBL8224837 0.84 CACNA1B (0.32) CACNA1BALDH1A1MAPTKDM4ECYP1A2
SCHEMBL3034979 0.84 CACNA1B (0.43) CACNA1BKMT2AMEN1CACNA1FCACNA1D
SCHEMBL8224820 0.79 CACNA1B (0.35) CACNA1BKMT2AMEN1ALDH1A1MAPT
SCHEMBL3034993 0.75 ADORA3 (0.57) CACNA1BKMT2AMEN1CACNA1FCACNA1D
SCHEMBL8223286 0.75 CACNA1B (0.33) CACNA1BALDH1A1MAPTKDM4ECYP1A2
SCHEMBL8222583 0.74 KDM4E (0.52) CACNA1BKMT2AMEN1CACNA1FCACNA1D

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-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 WO disclosed