SCHEMBL2905608

SCHEMBL2905608

CNC1(O)C=CC(C=Cc2ccccc2)=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CHAT P28329 2/20 0.34
CMA1 P23946 1/20 0.33
HDAC1 Q13547 1/20 0.32
EGFR P00533 2/20 0.31
MMP1 P03956 2/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TRPA1 O75762 2/20 0.31
RELA Q04206 1/20 0.31
GLA P06280 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2532692 0.80 TTR (0.37) TTRALOX5PTGS1PTGS2CHAT
SCHEMBL27693757 0.78 MAOB (0.37) TTRALOX5PTGS1PTGS2CHAT
SCHEMBL7324466 0.77 TRPA1 (0.37) TTRALOX5PTGS1PTGS2CHAT
SCHEMBL30781477 0.76 CHAT (0.39) TTRALOX5PTGS1PTGS2CHAT
SCHEMBL4595773 0.76 CHAT (0.39) TTRALOX5PTGS1PTGS2CHAT
SCHEMBL27570573 0.75 HDAC1 (0.37) TTRALOX5PTGS1PTGS2CMA1
SCHEMBL4438933 0.74 MAOB (0.39) TTRALOX5PTGS1PTGS2CHAT
SCHEMBL7941862 0.74 CHAT (0.37) TTRALOX5PTGS1PTGS2CHAT
SCHEMBL9639696 0.73 ALDH1A1 (0.38) CMA1HDAC1EGFRMMP1MMP2
SCHEMBL6837817 0.73 CHAT (0.35) TTRALOX5PTGS1PTGS2CHAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101123995-B Stilbene derivatives and their use for binding and imaging amyloid plaques UNIV PENNSYLVANIA 2011-11-16 CN disclosed
EP-2216050-A1 UTILIZATION OF NOVEL COMPOUNDS WITH AMYLOID AFFINITY AND METHOD OF PRODUCING THE SAME Nihon Medi-Physics Co., Ltd. (JP) 2010-08-11 EP disclosed
EP-2216052-A1 USE OF NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID, AND PROCESS FOR PRODUCTION OF THE SAME Nihon Medi-Physics Co., Ltd. (JP) 2010-08-11 EP disclosed
CN-101123995-A Stilbene derivatives and their use for binding and imaging amyloid plaques UNIV PENNSYLVANIA (US) 2008-02-13 CN disclosed