SCHEMBL6551892

SCHEMBL6551892

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.48
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ TNF P01375 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ NT5E P21589 1/20 0.41
▸ TACR2 P21452 2/20 0.39
▸ CA12 O43570 4/20 0.38
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA4 P22748 4/20 0.38
▸ CA6 P23280 4/20 0.38
▸ CA5A P35218 4/20 0.38
▸ CA7 P43166 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ CA13 Q8N1Q1 4/20 0.38
▸ CA14 Q9ULX7 4/20 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
SCHEMBL6551890 1.00 TSHR (0.48) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL17502089 0.88 TSHR (0.62) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL17502004 0.88 TSHR (0.59) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL7114420 0.87 TSHR (0.46) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL7178488 0.87 TSHR (0.46) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL6551995 0.87 TACR2 (0.44) TSHRALDH1A1TNFNT5ETACR2
SCHEMBL6552001 0.87 TACR2 (0.44) TSHRALDH1A1TNFNT5ETACR2
SCHEMBL20287904 0.84 TSHR (0.50) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL20870237 0.84 TSHR (0.50) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL13380996 0.84 TSHR (0.50) TSHRLMNAALDH1A1CYP2D6MAPK1

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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