SCHEMBL8401787

SCHEMBL8401787

COC(=O)CCCCCCCCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OC2O[C@H](CO)[C@H](Cl)[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@H]1NC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 4/20 0.41
▸ LGALS3 P17931 3/20 0.41
▸ LGALS8 O00214 1/20 0.41
▸ LGALS4 P56470 1/20 0.41
▸ TACR1 P25103 3/20 0.39
▸ SSTR1 P30872 1/20 0.38
▸ SSTR2 P30874 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ SSTR5 P35346 1/20 0.38
▸ MAG P20916 1/20 0.38
▸ MCHR1 Q99705 2/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ GJB2 P29033 1/20 0.36

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
SCHEMBL8401395 0.97 TACR1 (0.40) SELELGALS3LGALS8LGALS4TACR1
SCHEMBL8398312 0.95 TACR1 (0.39) SELELGALS3LGALS8LGALS4TACR1
SCHEMBL8403297 0.95 LGALS3 (0.47) SELELGALS3LGALS8LGALS4TACR1
SCHEMBL8397626 0.93 SELE (0.43) SELELGALS3LGALS8LGALS4TACR1
SCHEMBL8399815 0.92 LGALS3 (0.40) SELELGALS3LGALS8LGALS4TACR1
SCHEMBL11504746 0.91 LGALS3 (0.43) SELELGALS3LGALS8LGALS4TACR1
SCHEMBL11427960 0.91 LGALS3 (0.43) SELELGALS3LGALS8LGALS4TACR1
SCHEMBL8332665 0.90 TACR1 (0.45) SELELGALS3TACR1SSTR1SSTR2
SCHEMBL8330886 0.90 TACR1 (0.45) SELELGALS3TACR1SSTR1SSTR2
SCHEMBL8401388 0.89 SELP (0.42) SELETACR1SSTR1SSTR2SSTR4

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-5874411-A ANTIINFLAMMATORY GLYCOMED INCORPORATED (US) 1999-02-23 — — US disclosed
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