SCHEMBL9853879

SCHEMBL9853879

C=CCO[C@@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)O[C@H](CO)[C@H]1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
PTPN1 P18031 6/20 0.43
CDC25B P30305 6/20 0.43
SSTR1 P30872 3/20 0.42
SSTR2 P30874 3/20 0.42
SSTR4 P31391 3/20 0.42
SSTR3 P32745 3/20 0.42
SSTR5 P35346 3/20 0.42
PTPN2 P17706 2/20 0.41
PTPN6 P29350 2/20 0.41
PTPN11 Q06124 2/20 0.41
TACR2 P21452 1/20 0.40
BCHE P06276 1/20 0.40

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
SCHEMBL9853878 1.00 SLC6A2 (0.47) SLC6A2PTPN1CDC25BSSTR1SSTR2
SCHEMBL2172329 0.96 SLC6A2 (0.47) SLC6A2PTPN1CDC25BSSTR1SSTR2
SCHEMBL181126 0.96 SLC6A2 (0.47) SLC6A2PTPN1CDC25BSSTR1SSTR2
SCHEMBL181077 0.96 SLC6A2 (0.47) SLC6A2PTPN1CDC25BSSTR1SSTR2
SCHEMBL6929599 0.96 SLC6A2 (0.47) SLC6A2PTPN1CDC25BSSTR1SSTR2
SCHEMBL16581477 0.96 SLC6A2 (0.47) SLC6A2PTPN1CDC25BSSTR1SSTR2
SCHEMBL181127 0.96 SLC6A2 (0.47) SLC6A2PTPN1CDC25BSSTR1SSTR2
SCHEMBL1776774 0.92 SLC6A2 (0.47) SLC6A2PTPN1CDC25BSSTR1SSTR2
SCHEMBL23758909 0.89 SLC6A2 (0.51) SLC6A2PTPN1CDC25BSSTR1SSTR2
SCHEMBL18733412 0.89 SLC6A2 (0.51) SLC6A2PTPN1CDC25BSSTR1SSTR2

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-0416396-A2 Tetrasaccharides and process for their preparation MERCK PATENT GmbH (DE) 1991-03-13 EP disclosed