SCHEMBL5889082

SCHEMBL5889082

C=CCOC(=O)c1cncc(C(=O)OCC=C)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.54
CYP2C19 P33261 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP3A4 P08684 2/20 0.50
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FGFR1 P11362 1/20 0.38
RHOA P61586 1/20 0.38
MAPT P10636 1/20 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
SCHEMBL5889080 0.93 CYP2C9 (0.64) SNCACYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL26374737 0.90 SNCA (0.49) SNCACYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL4560961 0.89 RAB9A (0.54) SNCACYP2C19CYP3A4ALDH1A1KMT2A
SCHEMBL254063 0.86 CYP3A4 (0.59) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL2577778 0.85 SNCA (0.54) SNCACYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL503334 0.80 LMNA (0.59) SNCACYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL16246769 0.79 CYP3A4 (0.52) SNCACYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL16372021 0.79 CYP3A4 (0.61) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL157805 0.79 CYP3A4 (0.61) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL7196703 0.79 CYP3A4 (0.52) SNCACYP2C19CYP2C9CYP3A4ALDH1A1

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
US-6995227-B2 Activator compositions for cyanoacrylate adhesives LOCTITE R&D LIMITED (IE) 2006-02-07 US disclosed
EP-1280866-B1 ACTIVATOR COMPOSITIONS FOR CYANOACRYLATE ADHESIVES LOCTITE R & D LTD (IE) 2005-11-02 EP disclosed
US-20030191248-A1 Activator compositions for cyanoacrylate adhesives HENKEL AG & CO. KGAA (DE) 2003-10-09 US disclosed