SCHEMBL17636461

SCHEMBL17636461

CCCCOCC1O[C@@H](O[C@@H]2C(COCCCC)O[C@H](O[C@H]3C(COCCCC)O[C@H](OCCN(Cc4ccccc4)C(=O)OCc4ccccc4)C(OCCCC)[C@H]3OCCCC)C(OCCCC)[C@H]2OCCCC)[C@@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)[C@@H]1O[C@@H]1OC(C(=O)OC)[C@@H](O)C(OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FGF2 P09038 2/20 0.37
▸ MDK P21741 1/20 0.37
▸ SSTR1 P30872 1/20 0.34
▸ SSTR2 P30874 1/20 0.34
▸ SSTR4 P31391 1/20 0.34
▸ SSTR3 P32745 1/20 0.34
▸ SSTR5 P35346 1/20 0.34
▸ NT5E P21589 1/20 0.34
▸ TACR1 P25103 3/20 0.34
▸ PTPN1 P18031 10/20 0.33
▸ PTPN2 P17706 2/20 0.32
▸ PTPN6 P29350 2/20 0.32
▸ PTPN11 Q06124 2/20 0.32
▸ FGF1 P05230 1/20 0.32
▸ LGALS8 O00214 1/20 0.31
▸ GJB2 P29033 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
SCHEMBL17636515 1.00 FGF2 (0.37) FGF2MDKSSTR1SSTR2SSTR4
SCHEMBL17636468 0.98 FGF2 (0.36) FGF2MDKSSTR1SSTR2SSTR4
SCHEMBL17636462 0.95 FGF2 (0.40) FGF2MDKSSTR1SSTR2SSTR4
SCHEMBL17636505 0.95 FGF2 (0.40) FGF2MDKSSTR1SSTR2SSTR4
SCHEMBL17636477 0.95 FGF2 (0.40) FGF2MDKSSTR1SSTR2SSTR4
SCHEMBL17636467 0.95 FGF2 (0.40) FGF2MDKSSTR1SSTR2SSTR4
SCHEMBL17643426 0.94 NT5E (0.35) FGF2MDKSSTR1SSTR2SSTR4
SCHEMBL17636488 0.94 NT5E (0.35) FGF2MDKSSTR1SSTR2SSTR4
SCHEMBL18104451 0.92 NT5E (0.34) FGF2MDKSSTR1SSTR2SSTR4
SCHEMBL17636475 0.91 LGALS8 (0.37) FGF2MDKSSTR1SSTR2SSTR4

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-2016046420-A1 VACCINES AGAINST STREPTOCOCCUS PNEUMONIAE SEROTYPE 8 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-03-31 — — WO disclosed
EP-3000820-A1 Synthetic vaccines against Streptococcus pneumoniae serotype 8 Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-03-30 — — EP disclosed
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