SCHEMBL10957912

SCHEMBL10957912

C=CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1NC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 1/20 0.49
▸ MCHR1 Q99705 8/20 0.47
▸ SSTR3 P32745 5/20 0.47
▸ SSTR5 P35346 5/20 0.47
▸ SSTR2 P30874 3/20 0.47
▸ SSTR1 P30872 1/20 0.46
▸ SSTR4 P31391 1/20 0.46
▸ TLR4 O00206 5/20 0.45

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
SCHEMBL10957917 1.00 SELP (0.49) SELPMCHR1SSTR3SSTR5SSTR2
SCHEMBL10960734 0.90 MCHR1 (0.48) SELPMCHR1SSTR3SSTR5SSTR2
SCHEMBL10959851 0.86 SELP (0.49) SELPMCHR1SSTR3SSTR5SSTR2
SCHEMBL10959859 0.86 SELP (0.49) SELPMCHR1SSTR3SSTR5SSTR2
SCHEMBL10961054 0.85 TLR4 (0.58) SELPMCHR1SSTR3SSTR5SSTR2
SCHEMBL10961052 0.85 TLR4 (0.58) SELPMCHR1SSTR3SSTR5SSTR2
SCHEMBL10958757 0.85 MAPK1 (0.55) SELPMCHR1SSTR3SSTR5TLR4
SCHEMBL10958752 0.85 MAPK1 (0.55) SELPMCHR1SSTR3SSTR5TLR4
SCHEMBL21058364 0.85 SSTR3 (0.55) MCHR1SSTR3SSTR5SSTR2SSTR1
SCHEMBL10960740 0.84 SELP (0.42) SELPMCHR1SSTR3SSTR5SSTR2

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-4495346-A CATALYTICALLY COUPLING TWO MONOSACCHARIDES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1985-01-22 — — US disclosed
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