SCHEMBL28522671

SCHEMBL28522671

CC(CCC(=O)c1cccnc1)N=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
PLOD3 O60568 1/20 0.46
PLOD1 Q02809 1/20 0.46
CTNNB1 P35222 1/20 0.45
WNT3A P56704 1/20 0.45
ALDH1A1 P00352 3/20 0.45
APP P05067 1/20 0.45
GAA P10253 1/20 0.45
HCAR3 P49019 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
LMNA P02545 1/20 0.44
KMT2A Q03164 2/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
SARM1 Q6SZW1 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 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
SCHEMBL9433142 0.84 PLOD2 (0.56) PLOD2HDAC1HDAC8PLOD3PLOD1
SCHEMBL30173794 0.84 PLOD2 (0.56) PLOD2HDAC1HDAC8PLOD3PLOD1
SCHEMBL29020091 0.82 PLOD2 (0.50) PLOD2HDAC1HDAC8PLOD3PLOD1
SCHEMBL15445292 0.81 KMT2A (0.59) PLOD2HDAC1HDAC8PLOD3PLOD1
SCHEMBL23792310 0.81 PLOD2 (0.51) PLOD2HDAC1HDAC8PLOD3PLOD1
SCHEMBL18106041 0.79 PLOD2 (0.47) PLOD2HDAC1HDAC8PLOD3PLOD1
SCHEMBL7075878 0.79 PLOD2 (0.69) PLOD2HDAC1HDAC8PLOD3PLOD1
Niacin SCHEMBL11714696 0.78 ALDH1A1 (0.55) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL7543318 0.77 HDAC1 (0.50) PLOD2HDAC1HDAC8PLOD3PLOD1
SCHEMBL608117 0.77 PLOD2 (0.45) PLOD2HDAC1HDAC8PLOD3PLOD1

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
CN-112369658-A Cigarette cooling section, cooling filter tip comprising same and low-temperature cigarette 湖北中烟工业有限责任公司 2021-02-19 CN disclosed