SCHEMBL5799702

SCHEMBL5799702

COC(=O)c1ccc(C=C(C)CNc2cccc3c(O)cccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.43
ESR2 Q92731 4/20 0.43
ALOX5 P09917 1/20 0.42
CDC25B P30305 2/20 0.41
ALDH1A1 P00352 3/20 0.40
PTPN1 P18031 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
AGTR1 P30556 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
JAK2 O60674 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5797556 0.88 MAPT (0.47) CDC25BALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL5796792 0.87 MAPT (0.49) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL5797413 0.86 HDAC6 (0.51) CDC25BALDH1A1MAPTMEN1KMT2A
SCHEMBL5799162 0.82 MEN1 (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL5799477 0.82 HDAC3 (0.42) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL5798915 0.76 SLC40A1 (0.48) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL5797068 0.76 NPC1 (0.45) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL5799119 0.75 RAB9A (0.58) ALOX5ALDH1A1PTPN1SMN1; SMN2RAB9A
SCHEMBL5797237 0.75 MAPT (0.63) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL5798829 0.73 HDAC6 (0.57) ALDH1A1RAB9ANPC1MAPTMEN1

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