SCHEMBL17636488

SCHEMBL17636488

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)C3OCCCC)C(OCCCC)C2OCCCC)C(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)[C@@H]1O[C@@H]1OC(C(=O)O)[C@@H](O)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.35
▸ FGF2 P09038 1/20 0.34
▸ MDK P21741 1/20 0.34
▸ SSTR1 P30872 3/20 0.34
▸ SSTR2 P30874 3/20 0.34
▸ SSTR4 P31391 3/20 0.34
▸ SSTR3 P32745 3/20 0.34
▸ SSTR5 P35346 3/20 0.34
▸ TACR1 P25103 4/20 0.34
▸ GJB2 P29033 1/20 0.32
▸ PTPN1 P18031 8/20 0.32
▸ PTPN2 P17706 2/20 0.32
▸ PTPN6 P29350 2/20 0.32
▸ PTPN11 Q06124 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL17643426 1.00 NT5E (0.35) NT5EFGF2MDKSSTR1SSTR2
SCHEMBL18104451 0.97 NT5E (0.34) NT5EFGF2MDKSSTR1SSTR2
SCHEMBL17636515 0.94 FGF2 (0.37) NT5EFGF2MDKSSTR1SSTR2
SCHEMBL17636461 0.94 FGF2 (0.37) NT5EFGF2MDKSSTR1SSTR2
SCHEMBL19481501 0.94 NT5E (0.33) NT5EFGF2MDKSSTR1SSTR2
SCHEMBL17636475 0.93 LGALS8 (0.37) NT5EFGF2MDKSSTR1SSTR2
SCHEMBL17636486 0.93 LGALS8 (0.37) NT5EFGF2MDKSSTR1SSTR2
SCHEMBL17636468 0.92 FGF2 (0.36) NT5EFGF2MDKSSTR1SSTR2
SCHEMBL17643360 0.92 LGALS8 (0.38) NT5EFGF2MDKSSTR1SSTR2
SCHEMBL17643237 0.92 LGALS8 (0.38) NT5EFGF2MDKSSTR1SSTR2

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
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
Send feedback