SCHEMBL27600540

SCHEMBL27600540

CC(Br)C(=O)NCCCCN

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.53
GNAI3 P08754 1/20 0.51
GNAO1 P09471 1/20 0.51
GNAI1 P63096 1/20 0.51
DPP7 Q9UHL4 2/20 0.47
SIRT6 Q8N6T7 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
RRM1 P23921 1/20 0.46
ALDH1A2 O94788 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALDH2 P05091 1/20 0.42
ALDH1A3 P47895 1/20 0.42
TLR2 O60603 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
CHRND Q07001 4/20 0.38

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
SCHEMBL5519706 0.89 ALDH1A2 (0.50) DPP7RRM1ALDH1A2ALDH1A1ALDH2
SCHEMBL3675888 0.87 ALDH1A1 (0.54) PAOXGNAI3GNAO1GNAI1DPP7
SCHEMBL22749788 0.85
SCHEMBL11650885 0.83 PAOX (0.57) PAOXGNAI3GNAO1GNAI1DPP7
SCHEMBL14228092 0.82 PAOX (0.61) PAOXGNAI3GNAO1GNAI1DPP7
SCHEMBL8350906 0.82 GNAI3 (0.57) PAOXGNAI3GNAO1GNAI1DPP7
SCHEMBL17175237 0.82 PAOX (0.61) PAOXGNAI3GNAO1GNAI1DPP7
SCHEMBL15858573 0.82 PAOX (0.61) PAOXGNAI3GNAO1GNAI1DPP7
SCHEMBL652671 0.80 USP2 (0.50) DPP7ALDH1A2ALDH1A1ALDH2ALDH1A3
SCHEMBL15623802 0.80 GNAI3 (0.60) PAOXGNAI3GNAO1GNAI1DPP7

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-100482715-C Anti-bacterial high molecule and its preparation method, anti-bacterial high-molecule covering film and its preparation method and product with said surface covering film ULVAC INC (JP) 2009-04-29 CN disclosed
CN-1495218-A Anti-bacterial high molecule and its preparation method, anti-bacterial high-molecule covering film and its preparation method and product with said surface covering film ���׿ƹɷ����޹�˾ 2004-05-12 CN disclosed