SCHEMBL11504746

SCHEMBL11504746

COC(=O)CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@H]1NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 3/20 0.43
▸ SSTR2 P30874 3/20 0.42
▸ SSTR3 P32745 3/20 0.42
▸ SSTR5 P35346 3/20 0.42
▸ SSTR1 P30872 1/20 0.42
▸ SSTR4 P31391 1/20 0.42
▸ LGALS8 O00214 2/20 0.42
▸ LGALS4 P56470 1/20 0.42
▸ TACR1 P25103 3/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ MAG P20916 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ SELE P16581 1/20 0.41
▸ MCHR1 Q99705 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MDM2 Q00987 1/20 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
SCHEMBL11427960 1.00 LGALS3 (0.43) LGALS3SSTR2SSTR3SSTR5SSTR1
SCHEMBL8332665 0.94 TACR1 (0.45) LGALS3SSTR2SSTR3SSTR5SSTR1
SCHEMBL8330886 0.94 TACR1 (0.45) LGALS3SSTR2SSTR3SSTR5SSTR1
SCHEMBL8592902 0.94 LGALS3 (0.46) LGALS3SSTR2SSTR3SSTR5LGALS8
SCHEMBL8403297 0.94 LGALS3 (0.47) LGALS3SSTR2SSTR3SSTR5SSTR1
SCHEMBL8401787 0.91 SELE (0.41) LGALS3SSTR2SSTR3SSTR5SSTR1
SCHEMBL8397626 0.90 SELE (0.43) LGALS3SSTR2SSTR3SSTR5SSTR1
SCHEMBL11438186 0.89 LGALS3 (0.51) LGALS3LGALS8LGALS4TACR1MAPK1
SCHEMBL8401395 0.89 TACR1 (0.40) LGALS3SSTR2SSTR3SSTR5SSTR1
SCHEMBL7572141 0.89 SSTR1 (0.49) LGALS3SSTR2SSTR3SSTR5SSTR1

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-4137401-A Glycoside-ether-ester compounds CHEMBIOMED LIMITED (CA) 1979-01-30 — — US disclosed
Send feedback