SCHEMBL13699219

SCHEMBL13699219

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 5/20 0.47
HPSE Q9Y251 6/20 0.35
FGF1 P05230 5/20 0.35
FGF2 P09038 5/20 0.35
VEGFA P15692 3/20 0.35
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR4 P31391 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 1/20 0.35
TNF P01375 1/20 0.35
GBA1 P04062 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL15975879 1.00 GJB2 (0.47) GJB2HPSEFGF1FGF2VEGFA
SCHEMBL15976025 0.89 GJB2 (0.46) GJB2HPSEFGF1FGF2VEGFA
SCHEMBL14418557 0.88 GJB2 (0.44) GJB2HPSEFGF1FGF2VEGFA
SCHEMBL15255429 0.88 GJB2 (0.54) GJB2HPSEFGF1FGF2VEGFA
SCHEMBL13699176 0.85 GJB2 (0.41) GJB2HPSEFGF1FGF2VEGFA
SCHEMBL15255405 0.84 GJB2 (0.42) GJB2HPSEFGF1FGF2VEGFA
SCHEMBL15255427 0.84 GJB2 (0.42) GJB2HPSEFGF1FGF2VEGFA
SCHEMBL10292101 0.84 GJB2 (0.48) GJB2HPSEFGF1FGF2VEGFA
SCHEMBL19204221 0.84 GJB2 (0.48) GJB2HPSEFGF1FGF2VEGFA
SCHEMBL15045693 0.83 SSTR1 (0.46) GJB2HPSEFGF1FGF2VEGFA

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