SCHEMBL5889080

SCHEMBL5889080

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
SNCA P37840 1/20 0.49
CYP3A4 P08684 1/20 0.45
HCAR2 Q8TDS4 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
DDO Q99489 1/20 0.43
HSD17B10 Q99714 2/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
RAF1 P04049 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
SCHEMBL5889082 0.93 SNCA (0.54) CYP2C9CYP2C19SNCACYP3A4MEN1
SCHEMBL7196703 0.84 CYP3A4 (0.52) CYP2C9CYP2C19SNCACYP3A4MEN1
SCHEMBL16246769 0.84 CYP3A4 (0.52) CYP2C9CYP2C19SNCACYP3A4MEN1
SCHEMBL26374737 0.84 SNCA (0.49) CYP2C9CYP2C19SNCACYP3A4MEN1
SCHEMBL4560961 0.83 RAB9A (0.54) CYP2C19SNCACYP3A4HCAR2KMT2A
SCHEMBL254063 0.80 CYP3A4 (0.59) SNCACYP3A4MEN1KMT2AALDH1A1
SCHEMBL2577778 0.80 SNCA (0.54) CYP2C9CYP2C19SNCACYP3A4HCAR2
SCHEMBL2392472 0.79 CYP3A4 (0.54) SNCACYP3A4MEN1KMT2AALDH1A1
SCHEMBL2112657 0.78 CYP2C19 (1.00) CYP2C9CYP2C19CYP3A4HCAR2MEN1
SCHEMBL175787 0.78 SNCA (0.59) SNCACYP3A4MEN1KMT2AALDH1A1

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
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
EP-1280866-A1 ACTIVATOR COMPOSITIONS FOR CYANOACRYLATE ADHESIVES Loctite (R & D) Limited (IE) 2003-02-05 EP disclosed
WO-2001085861-A1 ACTIVATOR COMPOSITIONS FOR CYANOACRYLATE ADHESIVES LOCTITE (R & D) LIMITED (IE) 2001-11-15 WO disclosed