SCHEMBL8109660

SCHEMBL8109660

CC(=O)OC[C@H]1O[C@@H](c2cccc(OCc3ccccc3)c2C(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.58
▸ LMNA P02545 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CA9 Q16790 7/20 0.43
▸ CA12 O43570 6/20 0.43
▸ CA1 P00915 6/20 0.43
▸ CA2 P00918 5/20 0.43
▸ CA4 P22748 4/20 0.43
▸ CA6 P23280 4/20 0.43
▸ CA5A P35218 4/20 0.43
▸ CA7 P43166 4/20 0.43
▸ CA13 Q8N1Q1 4/20 0.43
▸ CA14 Q9ULX7 4/20 0.43
▸ CA5B Q9Y2D0 4/20 0.43
▸ POLB P06746 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42

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
SCHEMBL8109770 0.84 TSHR (0.60) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL8101493 0.81 TSHR (0.61) TSHRPTPN1CA9CA12CA1
SCHEMBL25088448 0.78 TSHR (0.70) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL9007978 0.75 TSHR (0.69) TSHRLMNACYP2D6PTPN1KMT2A
SCHEMBL9007982 0.75 TSHR (0.69) TSHRLMNACYP2D6PTPN1KMT2A
SCHEMBL8108900 0.75 TSHR (0.54) TSHRCYP2D6PTPN1CA9CA12
SCHEMBL12762931 0.75 TSHR (1.00) TSHRLMNACYP2D6PTPN1KMT2A
SCHEMBL15514610 0.74 TSHR (0.64) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL10359936 0.74 TSHR (0.64) TSHRLMNAALDH1A1CYP2D6MAPK1
SCHEMBL8722654 0.74 TSHR (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598359-B1 Hypoglycemic dihydrochalcone derivatives TANABE SEIYAKU CO (JP) 2000-06-14 — — EP disclosed
US-5731292-A ANTIDIABETIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1998-03-24 — — US disclosed
US-5424406-A Useful in treatment of diabetes TANABE SEIYAKU CO., LTD. (JP) 1995-06-13 — — US disclosed
EP-0598359-A1 Hypoglycemic dihydrochalcone derivatives TANABE SEIYAKU CO., LTD. (JP) 1994-05-25 — — EP disclosed
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