SCHEMBL17087680

SCHEMBL17087680

CCCCOCC1O[C@@H](OC)C(OCCCC)C(O)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.45
SSTR2 P30874 1/20 0.45
SSTR4 P31391 1/20 0.45
SSTR3 P32745 1/20 0.45
SSTR5 P35346 1/20 0.45
PTPN1 P18031 10/20 0.44
PTPN2 P17706 2/20 0.43
PTPN6 P29350 2/20 0.43
PTPN11 Q06124 2/20 0.43
GJB2 P29033 3/20 0.41
LGALS3 P17931 3/20 0.41
LGALS4 P56470 1/20 0.41
LGALS9 O00182 2/20 0.40
LGALS1 P09382 2/20 0.40
LGALS7; LGALS7B P47929 2/20 0.40
NT5E P21589 1/20 0.39
TNF P01375 2/20 0.39

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
SCHEMBL18653418 0.94 GJB2 (0.42) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL14440518 0.92 SSTR1 (0.51) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL19682235 0.91 PTPN1 (0.51) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL12468845 0.90 PTPN1 (0.44) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL19276735 0.88 SSTR1 (0.48) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL19276742 0.88 SSTR1 (0.48) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL17471464 0.85 PTPN1 (0.44) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL12468761 0.85 LGALS3 (0.50) LGALS3LGALS4LGALS9LGALS1LGALS7; LGALS7B
SCHEMBL13415641 0.85 PTPN1 (0.44) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL15870687 0.84 PTPN1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015136027-A1 CARBOHYDRATE LIGANDS THAT BIND TO IGM ANTIBODIES AGAINST MYELIN-ASSOCIATED GLYCOPROTEIN UNIVERSITAET BASEL (CH) 2015-09-17 WO disclosed