SCHEMBL13745334

SCHEMBL13745334

CCCCOCC1O[C@H](O[C@@H]2C(C(=O)OC)O[C@H](OC)C(OC(=O)c3ccccc3)C2OCCCC)C(N=[N+]=[N-])C(OCCCC)[C@@H]1OCc1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SSTR1 P30872 1/20 0.41
▸ SSTR2 P30874 1/20 0.41
▸ SSTR4 P31391 1/20 0.41
▸ SSTR3 P32745 1/20 0.41
▸ SSTR5 P35346 1/20 0.41
▸ FGF2 P09038 1/20 0.40
▸ MDK P21741 1/20 0.40
▸ PTPN1 P18031 12/20 0.39
▸ PTPN2 P17706 5/20 0.38
▸ PTPN6 P29350 2/20 0.38
▸ PTPN11 Q06124 2/20 0.38
▸ LGALS3 P17931 1/20 0.36
▸ NT5E P21589 1/20 0.36
▸ TACR1 P25103 2/20 0.34
▸ TNF P01375 1/20 0.34

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
SCHEMBL13746440 1.00 SSTR1 (0.41) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13008540 0.92 FGF2 (0.44) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13745433 0.91 FGF2 (0.37) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13745524 0.91 FGF2 (0.37) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL14817679 0.88 TNF (0.40) FGF2MDKPTPN1PTPN2PTPN6
SCHEMBL16330466 0.84 TNF (0.41) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL18392651 0.84 TNF (0.41) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL24086092 0.83 TNF (0.39) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13839090 0.83 NT5E (0.39) FGF2MDKPTPN1PTPN2PTPN6
SCHEMBL13766026 0.83 FGF2 (0.41) FGF2MDKPTPN1PTPN2PTPN6

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
WO-2009098449-A1 PRODUCTION OF L-IDURONATE CONTAINING POLYSACCHARIDES THE UNIVERSITY OF MANCHESTER (GB) 2009-08-13 — — WO disclosed
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