SCHEMBL13699176

SCHEMBL13699176

CCCCOCC1O[C@H](OC2C(OC(C)=O)[C@H](O)OC(C)[C@@H]2OCCCC)C(OCCCC)C(OCCCC)[C@@H]1OCCCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 4/20 0.41
HPSE Q9Y251 9/20 0.36
FGF1 P05230 7/20 0.36
FGF2 P09038 7/20 0.36
VEGFA P15692 5/20 0.36
BCHE P06276 1/20 0.33
SSTR1 P30872 1/20 0.32
SSTR2 P30874 1/20 0.32
SSTR4 P31391 1/20 0.32
SSTR3 P32745 1/20 0.32
SSTR5 P35346 1/20 0.32
BMP2 P12643 1/20 0.32
CXCL12 P48061 1/20 0.32
SHH Q15465 1/20 0.32
CYP2D6 P10635 1/20 0.31
THRB P10828 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL19731769 0.87 GJB2 (0.43) GJB2HPSEFGF1FGF2VEGFA
SCHEMBL15975926 0.86 NT5E (0.40) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL14436853 0.86 GJB2 (0.39) GJB2BCHECYP2D6THRBHSD17B10
SCHEMBL18744561 0.86 GJB2 (0.39) GJB2BCHECYP2D6THRBHSD17B10
SCHEMBL13699219 0.85 GJB2 (0.47) GJB2HPSEFGF1FGF2VEGFA
SCHEMBL15975879 0.85 GJB2 (0.47) GJB2HPSEFGF1FGF2VEGFA
SCHEMBL14418557 0.85 GJB2 (0.44) GJB2HPSEFGF1FGF2VEGFA
SCHEMBL18315051 0.84 GJB2 (0.46) GJB2HPSEFGF1FGF2VEGFA
SCHEMBL15975985 0.83 ALDH1A1 (0.37) BCHETHRBHSD17B10
SCHEMBL15975868 0.83 ALDH1A1 (0.37) BCHETHRBHSD17B10

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
WO-2009112951-A2 MUTANTS OF GLYCOSIDE HYDROLASES AND USES THEREOF FOR SYNTHESIZING COMPLEX OLIGOSACCHARIDES AND DISACCHARIDE INTERMEDIATES INSTITUT PASTEUR (FR) 2009-09-17 WO disclosed
EP-2100966-A1 Mutants of glycoside hydrolases and uses thereof for synthesizing complex oligosaccharides and disaccharide intermediates Institut Pasteur (FR) 2009-09-16 EP disclosed