SCHEMBL28858601

SCHEMBL28858601

COC(=O)c1ccc2c(OC)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.56
ALOX15 P16050 1/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 4/20 0.51
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
RAB9A P51151 2/20 0.48
KIF11 P52732 1/20 0.48
KDM2B Q8NHM5 3/20 0.47
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
XDH P47989 1/20 0.46

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
SCHEMBL11815168 0.87 ALDH1A1 (0.55) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10282867 0.85 ALDH1A1 (0.60) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL1144405 0.85 KDM4E (0.62) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL19205985 0.84 ALDH1A1 (0.53) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL31493128 0.82 HPGD (0.53) LCKALOX15HTTKDM4EALDH1A1
SCHEMBL69179 0.82 LCK (0.58) LCKALOX15HTTKDM4EALDH1A1
SCHEMBL31120448 0.82 LCK (0.67) LCKALOX15HTTKDM4EALDH1A1
SCHEMBL18288014 0.82 HPGD (0.53) LCKALOX15HTTKDM4EALDH1A1
SCHEMBL30213808 0.82 LCK (0.58) LCKALOX15HTTKDM4EALDH1A1
SCHEMBL7220681 0.82 LCK (0.67) LCKALOX15HTTKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160098-B Oxygen-containing compound deoxidization methylation method 中国科学院兰州化学物理研究所 2023-06-06 CN disclosed
CN-115160098-A Oxygen-containing compound deoxidation and methylation method 中国科学院兰州化学物理研究所 2022-10-11 CN disclosed