SCHEMBL8330886

SCHEMBL8330886

COC(=O)CCCCCCCCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O)[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 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.45
▸ MCHR1 Q99705 3/20 0.43
▸ SSTR3 P32745 6/20 0.43
▸ SSTR5 P35346 6/20 0.43
▸ SSTR2 P30874 4/20 0.43
▸ SSTR4 P31391 4/20 0.42
▸ SSTR1 P30872 2/20 0.42
▸ LGALS3 P17931 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ SELE P16581 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ PTN P21246 1/20 0.38
▸ MDK P21741 1/20 0.38
▸ BDNF P23560 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
SCHEMBL8332665 1.00 TACR1 (0.45) TACR1MCHR1SSTR3SSTR5SSTR2
SCHEMBL11427960 0.94 LGALS3 (0.43) TACR1MCHR1SSTR3SSTR5SSTR2
SCHEMBL11504746 0.94 LGALS3 (0.43) TACR1MCHR1SSTR3SSTR5SSTR2
SCHEMBL8397626 0.93 SELE (0.43) TACR1MCHR1SSTR3SSTR5SSTR2
SCHEMBL8592902 0.92 LGALS3 (0.46) TACR1MCHR1SSTR3SSTR5SSTR2
SCHEMBL8401592 0.92 MCHR1 (0.42) TACR1MCHR1SSTR3SSTR5SSTR2
SCHEMBL8401395 0.92 TACR1 (0.40) TACR1MCHR1SSTR3SSTR5SSTR2
SCHEMBL8403297 0.91 LGALS3 (0.47) TACR1SSTR3SSTR5SSTR2SSTR4
SCHEMBL8399815 0.91 LGALS3 (0.40) TACR1MCHR1SSTR3SSTR5SSTR2
SCHEMBL8398312 0.90 TACR1 (0.39) TACR1MCHR1SSTR3SSTR5SSTR2

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
WO-1997018222-A9 NOVEL OLIGOSACCHARIDE GLYCOSIDES HAVING MAMMALIAN IMMUNOSUPPRESSIVE AND TOLEROGENIC PROPERTIES GLYCOMED INC (US) 1999-07-01 — — WO disclosed
US-5874411-A ANTIINFLAMMATORY GLYCOMED INCORPORATED (US) 1999-02-23 — — US disclosed
WO-1997045435-A1 PROCESSES FOR THE SYNTHESIS OF SIALYL LEWISx COMPOUNDS GLYCOMED, INCORPORATED (US) 1997-12-04 — — WO disclosed
US-5654412-A CONVERGENT SYNTHESIS VIA TWO DISACCHARIDE SUBCOMPONENTS; SIMPLIFICATION, HIGH YIELD GLYCOMED INCORPORATED (US) 1997-08-05 — — US disclosed
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