SCHEMBL5796789

SCHEMBL5796789

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
NPC1 O15118 4/20 0.58
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
BLM P54132 1/20 0.49
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
PTPN1 P18031 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL5799076 0.90 RAB9A (0.57) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL5798805 0.90 MAPT (0.56) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL5797343 0.87 MAPT (0.50) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL5795596 0.85 NPC1 (0.48) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL5808893 0.85 MAPT (0.48) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL5799050 0.84 MAPT (0.55) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL5808810 0.83 MAPT (0.54) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL12113452 0.80 ALDH1A1 (0.49) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL1306778 0.80 ALDH1A1 (0.49) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL1306780 0.80 ALDH1A1 (0.49) 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