SCHEMBL8398312

SCHEMBL8398312

COC(=O)CCCCCCCCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](CCl)[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 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.39
▸ SSTR2 P30874 3/20 0.38
▸ SSTR3 P32745 3/20 0.38
▸ SSTR5 P35346 3/20 0.38
▸ SSTR1 P30872 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ SELE P16581 2/20 0.38
▸ MCHR1 Q99705 2/20 0.37
▸ PTPN1 P18031 2/20 0.37
▸ LGALS3 P17931 2/20 0.37
▸ LGALS8 O00214 1/20 0.37
▸ LGALS4 P56470 1/20 0.37
▸ GJB2 P29033 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ BDNF P23560 2/20 0.35
▸ PTN P21246 1/20 0.35
▸ MDK P21741 1/20 0.35
▸ PTPN2 P17706 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
SCHEMBL8401395 0.97 TACR1 (0.40) TACR1SSTR2SSTR3SSTR5SSTR1
SCHEMBL8399815 0.95 LGALS3 (0.40) TACR1SSTR2SSTR3SSTR5SSTR1
SCHEMBL8401787 0.95 SELE (0.41) TACR1SSTR2SSTR3SSTR5SSTR1
SCHEMBL8397626 0.93 SELE (0.43) TACR1SSTR2SSTR3SSTR5SSTR1
SCHEMBL8401514 0.92 SELP (0.41) TACR1SSTR2SSTR3SSTR5SSTR1
SCHEMBL8397731 0.92 LMNA (0.40) TACR1SSTR2SSTR3SSTR5SSTR1
SCHEMBL8403297 0.91 LGALS3 (0.47) TACR1SSTR2SSTR3SSTR5SSTR1
SCHEMBL8398165 0.90 SELP (0.41) TACR1SSTR2SSTR3SSTR5SSTR1
SCHEMBL8330886 0.90 TACR1 (0.45) TACR1SSTR2SSTR3SSTR5SSTR1
SCHEMBL8332665 0.90 TACR1 (0.45) TACR1SSTR2SSTR3SSTR5SSTR1

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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