SCHEMBL5822229

SCHEMBL5822229

COC(=O)c1ccc(C=C(COc2ccccc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 4/20 0.51
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
BLM P54132 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PTPN1 P18031 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5824078 0.89 MAPT (0.44) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL5821033 0.87 MAPT (0.42) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL5820244 0.86 MAPT (0.49) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL12113456 0.83 ALDH1A1 (0.43) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL1306853 0.83 ALDH1A1 (0.43) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL1306854 0.83 ALDH1A1 (0.43) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL5824269 0.81 CGAS (0.39) MAPTRAB9ASMN1; SMN2NPC1KDM4E
Benzoic Acid SCHEMBL5808846 0.81 TSHR (0.43) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL1306293 0.80 ALDH1A1 (0.46) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL1306294 0.80 ALDH1A1 (0.46) MAPTRAB9ASMN1; SMN2NPC1KDM4E

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-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed