SCHEMBL6949828

SCHEMBL6949828

C=CCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@H]2O[C@H](COCc3ccccc3)[C@@H](O)[C@H](OC)[C@H]2OCc2ccccc2)[C@H](OC)[C@H]1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 2/20 0.46
NT5E P21589 1/20 0.42
PTPN1 P18031 8/20 0.41
CDC25B P30305 5/20 0.41
PTPN2 P17706 4/20 0.40
PTPN11 Q06124 3/20 0.40
SSTR1 P30872 1/20 0.40
SSTR2 P30874 1/20 0.40
SSTR4 P31391 1/20 0.40
SSTR3 P32745 1/20 0.40
SSTR5 P35346 1/20 0.40
PTPN6 P29350 2/20 0.39
SELP P16109 1/20 0.39
TACR1 P25103 1/20 0.39
TACR2 P21452 1/20 0.38
SLC6A2 P23975 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL6949834 1.00 GJB2 (0.46) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL7582813 0.92 LGALS8 (0.42) GJB2NT5EPTPN1CDC25BSSTR4
SCHEMBL6948297 0.89 GJB2 (0.44) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL6948295 0.89 GJB2 (0.44) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL7582817 0.88 NT5E (0.44) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL22677442 0.86 SSTR1 (0.49) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL22677766 0.86 SSTR1 (0.51) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL22678393 0.86 SSTR1 (0.51) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL22678413 0.85 SSTR1 (0.51) GJB2NT5EPTPN1CDC25BPTPN2
SCHEMBL22677685 0.84 SSTR1 (0.51) GJB2NT5EPTPN1CDC25BPTPN2

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-6534481-B1 Antithrombin III binding domain consisting of a concatenation of five monosaccharides supporting a total of two carboxylic acid functions and at least four sulpho groups, said domain being directly bound at the non-reducing end by a thrombin SANOFI-SYNTHELABO (FR) 2003-03-18 US disclosed
EP-0912613-B1 SYNTHETIC POLYSACCHARIDES, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2002-09-25 EP disclosed