SCHEMBL6551995

SCHEMBL6551995

CC(C)(C)C(=O)OC[C@H]1O[C@@H](O)[C@H](OCc2ccccc2)[C@@H](O)[C@H]1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 3/20 0.44
▸ TNF P01375 1/20 0.42
▸ NT5E P21589 1/20 0.39
▸ GJB2 P29033 1/20 0.39
▸ PRKCA P17252 1/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ LGALS8 O00214 1/20 0.37
▸ PDPK1 O15530 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ CDC25A P30304 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SSTR1 P30872 1/20 0.35
▸ SSTR2 P30874 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
SCHEMBL6552001 1.00 TACR2 (0.44) TACR2TNFNT5EGJB2PRKCA
SCHEMBL6552374 0.90 TACR2 (0.43) TACR2NT5EGJB2LGALS8PTPN2
SCHEMBL13797894 0.87 TSHR (0.49) TACR2TNFNT5EGJB2LGALS8
SCHEMBL6551890 0.87 TSHR (0.48) TACR2TNFNT5ETSHRPTPN1
SCHEMBL6551892 0.87 TSHR (0.48) TACR2TNFNT5ETSHRPTPN1
SCHEMBL21077811 0.83 KMT2A (0.49) TACR2TNFNT5EGJB2ALDH1A1
SCHEMBL6552379 0.82 PTPN1 (0.50) NT5EPTPN2PTPN1PTPN6CDC25B
SCHEMBL7178488 0.82 TSHR (0.46) TACR2TNFNT5ETSHRPTPN2
SCHEMBL7114420 0.82 TSHR (0.46) TACR2TNFNT5ETSHRPTPN2
SCHEMBL6553221 0.82 SSTR1 (0.42) TACR2TNFNT5ETSHRALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1018515-B1 Oligosaccharide, method for producing it and pharmaceutical composition containing it SEIKAGAKU KOGYO CO LTD (JP) 2004-02-18 — — EP disclosed
US-6562954-B1 Oligosaccharide for use as tool in human therapeutics SEIKAGAKU CORPORATION (JP) 2003-05-13 — — US disclosed
EP-1018515-A1 Oligosaccharide, method for producing it and pharmaceutical composition containing it SEIKAGAKU CORPORATION (JP) 2000-07-12 — — EP disclosed
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