SCHEMBL28059923

SCHEMBL28059923

CCCCN(CCCC)C(CC)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 2/20 0.33
DNM1 Q05193 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL28157967 0.84 MMP1 (0.38) MMP1MMP2MMP3MMP8CA1
SCHEMBL28870468 0.80 ALDH1A1 (0.39) MMP1MMP2MMP3MMP8CA1
SCHEMBL25338592 0.79 ALDH1A1 (0.40) GABRA1GABRG2GABRB3ALDH1A1LMNA
SCHEMBL22577613 0.74 ZDHHC7 (0.40) CA2LMNADNM1
SCHEMBL28870496 0.74 EPHX2 (0.37) ALDH1A1LMNAHSD17B10ATMDNM1
SCHEMBL22211419 0.73 ALOX15 (0.37) CA1CA2CA12CA9ALDH1A1
SCHEMBL27703943 0.73 CA2 (0.40) CA1CA2ALDH1A1LMNAHSD17B10
SCHEMBL19143890 0.73 CPB2 (0.35) CA1CA2CA12CA9ALDH1A1
SCHEMBL29125538 0.73 GPR84 (0.38) LMNAMAPK1
SCHEMBL8367999 0.73 ALDH1A1 (0.42) CA1CA2CA12CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105462528-A Glass sheet paper tag glue and preparation method thereof SHANGHAI JIAHAO ADHESIVE PRODUCT CO LTD 2016-04-06 CN claimed
CN-105462528-B Glass sheet paper tag glue and preparation method thereof 如皋市嘉好热熔胶有限公司 2017-05-03 CN disclosed
CN-105462528-A Glass sheet paper tag glue and preparation method thereof SHANGHAI JIAHAO ADHESIVE PRODUCT CO LTD 2016-04-06 CN disclosed