SCHEMBL5799862

SCHEMBL5799862

COC(=O)c1ccc(C=C(COc2ccc(-c3ccccc3)cc2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
NPC1 O15118 5/20 0.56
POLB P06746 3/20 0.50
CTDSP1 Q9GZU7 2/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 4/20 0.49
TDP1 Q9NUW8 2/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
EGFR P00533 1/20 0.46
BLM P54132 1/20 0.45
PTPN1 P18031 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL5799858 1.00 MAPT (0.56) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL5797060 0.88 RAB9A (0.57) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL5810283 0.86 MAPT (0.58) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL5799655 0.86 RAB9A (0.51) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL5810687 0.84 MAPT (0.49) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL5797705 0.84 MAPT (0.49) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL5797667 0.83 MAPT (0.54) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL5808810 0.83 MAPT (0.54) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL5799593 0.82 NPC1 (0.47) MAPTRAB9ASMN1; SMN2NPC1POLB
SCHEMBL5822229 0.79 MAPT (0.51) MAPTRAB9ASMN1; SMN2NPC1POLB

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