SCHEMBL12777936

SCHEMBL12777936

CCCCOCC1O[C@H](OC)C(OCCCC)C(OCCCC)[C@@H]1O[C@@H]1OC(C(=O)OC)[C@@H](O)C(OC)C1OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 4/20 0.42
▸ TNF P01375 2/20 0.39
▸ F10 P00742 4/20 0.39
▸ SERPINC1 P01008 3/20 0.38
▸ SSTR1 P30872 1/20 0.37
▸ SSTR2 P30874 1/20 0.37
▸ SSTR4 P31391 1/20 0.37
▸ SSTR3 P32745 1/20 0.37
▸ SSTR5 P35346 1/20 0.37
▸ FGF1 P05230 4/20 0.35
▸ BMP2 P12643 1/20 0.34
▸ VEGFA P15692 1/20 0.34
▸ CXCL12 P48061 1/20 0.34
▸ SHH Q15465 1/20 0.34
▸ HPSE Q9Y251 3/20 0.34
▸ FGF2 P09038 2/20 0.34
▸ F2 P00734 1/20 0.33

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
SCHEMBL14846435 1.00 GJB2 (0.42) GJB2TNFF10SERPINC1SSTR1
SCHEMBL16383851 0.86 SSTR1 (0.49) GJB2TNFSSTR1SSTR2SSTR4
SCHEMBL14846437 0.85 GJB2 (0.45) GJB2TNFF10SSTR1SSTR2
SCHEMBL15171161 0.83 TNF (0.41) TNFHPSE
SCHEMBL16160499 0.82 SSTR1 (0.50) GJB2TNFSSTR1SSTR2SSTR4
SCHEMBL7913970 0.81 SERPINC1 (0.43) GJB2TNFF10SERPINC1SSTR1
SCHEMBL14854492 0.78 GJB2 (0.44) GJB2TNFSSTR1SSTR2SSTR4
SCHEMBL19277305 0.77 SSTR1 (0.42) GJB2TNFSSTR1SSTR2SSTR4
SCHEMBL12000691 0.77 SSTR1 (0.48) GJB2TNFSSTR1SSTR2SSTR4
SCHEMBL16770611 0.77 SSTR1 (0.54) GJB2TNFSSTR1SSTR2SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919614-B2 Disaccharide sequences formed by uronic acid and hexose as to form polysaccharides of 8-24 monosaccharide units whose hydroxyl groups are substituted by alkyl or sulphate groups; possible to modulate activities of glycosaminoglycans type SANOFI-AVENTIS (FR) 2011-04-05 — — US disclosed
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