SCHEMBL28294959

SCHEMBL28294959

C=CC(=O)N(CCC)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 3/20 0.36
ADH1C P00326 2/20 0.36
ZDHHC20 Q5W0Z9 2/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
ADH4 P08319 1/20 0.34
SLC6A4 P31645 4/20 0.34
KCNH2 Q12809 1/20 0.34
PSMB5 P28074 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
SLC6A3 Q01959 2/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL25211965 0.91 ADH1A (0.47) ADH1AADH1CZDHHC20ZDHHC2ALDH1A1
SCHEMBL21869740 0.84 PSMB5 (0.34) ZDHHC20ZDHHC2PSMB5
SCHEMBL9420629 0.81 ADH1A (0.41) ADH1AADH1CZDHHC20ZDHHC2ALDH1A1
SCHEMBL13434146 0.78 ADH1A (0.34) ADH1AADH1CADH4SLC6A4KCNH2
SCHEMBL6829299 0.77 ZDHHC20 (0.30) ZDHHC20ZDHHC2
SCHEMBL15715529 0.76 PSMB5 (0.34) PSMB5
SCHEMBL14413802 0.76 MEN1 (0.47) ADH1AADH1CSLC6A4ALDH1A1TSHR
SCHEMBL18611275 0.75 PIK3CD (0.43) ADH1AADH1CADH4SLC6A4KCNH2
SCHEMBL16055381 0.75 SLC6A4 (0.40) ADH1AADH1CADH4SLC6A4KCNH2
SCHEMBL21869739 0.75 PSMB5 (0.30) PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111225648-B Photocurable dental compositions 登特斯普伊德特雷有限公司 2023-03-31 CN disclosed
CN-109996526-B Filling composition for direct dental use 登特斯普伊德特雷有限公司 2022-12-02 CN disclosed
CN-107530230-B Aqueous dental glass ionomer compositions 登特斯普伊德特雷有限公司 2021-09-14 CN disclosed
CN-107922544-B Polymerizable polyacid polymers 登特斯普伊德特雷有限公司 2021-02-23 CN disclosed
CN-109790245-A Method for preparing dental resin modified glass ionomer compositions 登特斯普伊德特雷有限公司 2019-05-21 CN disclosed