SCHEMBL6948295

SCHEMBL6948295

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 1/20 0.44
SSTR1 P30872 1/20 0.43
SSTR2 P30874 1/20 0.43
SSTR4 P31391 1/20 0.43
SSTR3 P32745 1/20 0.43
SSTR5 P35346 1/20 0.43
NT5E P21589 1/20 0.42
SELP P16109 1/20 0.42
PTPN1 P18031 11/20 0.41
CDC25B P30305 7/20 0.40
PTPN2 P17706 7/20 0.40
PTPN11 Q06124 5/20 0.40
PTPN6 P29350 4/20 0.39
TACR1 P25103 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
SCHEMBL6948297 0.91 GJB2 (0.44) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL6949834 0.89 GJB2 (0.46) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL6949828 0.89 GJB2 (0.46) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL7582817 0.87 NT5E (0.44) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL7079491 0.82 PTPN1 (0.51) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL7079489 0.82 PTPN1 (0.51) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL7571873 0.82 SSTR1 (0.53) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL7571875 0.82 SSTR1 (0.53) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL14363518 0.82 NT5E (0.45) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL14088876 0.82 NT5E (0.45) GJB2SSTR1SSTR2SSTR4SSTR3

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
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