SCHEMBL9145463

SCHEMBL9145463

C=CCO[C@H]1[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H](O[C@H]2[C@@H](COCc3ccccc3)O[C@@H](O)[C@](CC[Si](C)(C)C)(OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.42
CDC25B P30305 8/20 0.42
PTPN2 P17706 5/20 0.41
PTPN11 Q06124 5/20 0.41
PTPN6 P29350 4/20 0.41
SSTR1 P30872 1/20 0.39
SSTR2 P30874 1/20 0.39
SSTR4 P31391 1/20 0.39
SSTR3 P32745 1/20 0.39
SSTR5 P35346 1/20 0.39
GJB2 P29033 2/20 0.39
NT5E P21589 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL9148642 0.87 GJB2 (0.47) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL9149771 0.84 NT5E (0.43) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL9145474 0.83 SSTR1 (0.47) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL8655409 0.81 HTR1A (0.43) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL2533916 0.81 SSTR1 (0.49) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL6379857 0.81 GJB2 (0.50) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL1775254 0.80 SSTR1 (0.48) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL13038862 0.80 SSTR1 (0.48) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL9167095 0.80 SSTR1 (0.48) PTPN1CDC25BPTPN2PTPN11PTPN6
SCHEMBL8928604 0.80 SSTR1 (0.48) PTPN1CDC25BPTPN2PTPN11PTPN6

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
US-5474986-A Galabiose derivatives modified at 3* and anomeric positions SYMBICOM AKTIEBOLAG (SE) 1995-12-12 US disclosed
EP-0428605-B1 SYNTHETIC RECEPTOR ANALOGUES SYMBICOM AB (SE) 1994-10-19 EP disclosed