SCHEMBL6949106

SCHEMBL6949106

C=C[C@@]12COC(C)(C)O[C@H]1[C@H](OC)[C@H](O)[C@H](O[C@H]1[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H](OC)O[C@@H]1COCc1ccccc1)O2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SSTR1 P30872 1/20 0.42
▸ SSTR2 P30874 1/20 0.42
▸ SSTR4 P31391 1/20 0.42
▸ SSTR3 P32745 1/20 0.42
▸ SSTR5 P35346 1/20 0.42
▸ GJB2 P29033 4/20 0.42
▸ PTPN1 P18031 6/20 0.38
▸ PTPN2 P17706 3/20 0.38
▸ NT5E P21589 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ SLC6A2 P23975 2/20 0.35
▸ CDC25B P30305 2/20 0.35
▸ GJA1 P17302 1/20 0.35

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
SCHEMBL13381011 0.86 SSTR1 (0.33) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL6949805 0.82 SSTR1 (0.45) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL6949802 0.82 SSTR1 (0.45) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13381018 0.80 GJB2 (0.33) GJB2GJA1
SCHEMBL1647584 0.79 SSTR1 (0.45) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL10607794 0.75 SSTR1 (0.58) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8992046 0.75 SSTR1 (0.58) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL10605657 0.75 SSTR1 (0.58) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8992050 0.75 SSTR1 (0.58) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL10605652 0.75 SSTR1 (0.58) SSTR1SSTR2SSTR4SSTR3SSTR5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670338-B1 Anticoagulants SANOFI-SYNTHELABO (FR) 2003-12-30 — — US disclosed
EP-1049706-B1 NEW PENTASACCHARIDES, THEIR METHODS OF PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2003-05-28 — — EP disclosed
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
Send feedback