SCHEMBL5797705

SCHEMBL5797705

COC(=O)c1ccc(C=C(COc2ccc(C#N)cc2)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 4/20 0.49
ALDH1A1 P00352 4/20 0.45
POLB P06746 1/20 0.44
BLM P54132 1/20 0.44
KDM4E B2RXH2 4/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
LMNA P02545 4/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
CYP3A4 P08684 1/20 0.42
MITF O75030 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL5798849 0.85 MAPT (0.50) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5799655 0.85 RAB9A (0.51) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5799858 0.84 MAPT (0.56) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5799862 0.84 MAPT (0.56) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5797331 0.84 MAPT (0.48) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5810687 0.83 MAPT (0.49) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5797060 0.82 RAB9A (0.57) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL5797667 0.82 MAPT (0.54) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5799593 0.81 NPC1 (0.47) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6568159 0.76 PTPN1 (0.58) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1

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