SCHEMBL8101493

SCHEMBL8101493

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.61
▸ PTPN1 P18031 1/20 0.53
▸ CA12 O43570 13/20 0.52
▸ CA1 P00915 13/20 0.52
▸ CA2 P00918 12/20 0.52
▸ CA4 P22748 10/20 0.52
▸ CA5A P35218 10/20 0.52
▸ CA7 P43166 10/20 0.52
▸ CA5B Q9Y2D0 10/20 0.52
▸ CA9 Q16790 7/20 0.52
▸ CA6 P23280 4/20 0.52
▸ CA13 Q8N1Q1 4/20 0.52
▸ CA14 Q9ULX7 4/20 0.52
▸ P4HB P07237 2/20 0.50
▸ PDIA4 P13667 1/20 0.50
▸ PDIA3 P30101 1/20 0.50
▸ NR3C1 P04150 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL8108900 0.93 TSHR (0.54) TSHRPTPN1CA12CA1CA2
SCHEMBL4368202 0.88 TSHR (0.64) TSHRPTPN1CA12CA1CA2
SCHEMBL8109770 0.83 TSHR (0.60) TSHRPTPN1CA12CA1CA2
SCHEMBL1726710 0.82 P4HB (0.61) TSHRCA12CA1CA2CA4
SCHEMBL8654501 0.82 P4HB (0.61) TSHRCA12CA1CA2CA4
SCHEMBL8109660 0.81 TSHR (0.58) TSHRPTPN1CA12CA1CA2
SCHEMBL4371658 0.80 TSHR (0.70) TSHRPTPN1CA12CA1CA2
SCHEMBL9007978 0.80 TSHR (0.69) TSHRPTPN1CA12CA1CA2
SCHEMBL9007982 0.80 TSHR (0.69) TSHRPTPN1CA12CA1CA2
SCHEMBL5273793 0.79 TSHR (0.61) TSHRPTPN1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6305971-A — — None — — JP disclosed
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
JP-H06305971-A HYPOGLYCEMIC AGENT TANABE SEIYAKU CO LTD 1994-11-01 — — JP disclosed
EP-0598359-A1 Hypoglycemic dihydrochalcone derivatives TANABE SEIYAKU CO., LTD. (JP) 1994-05-25 — — EP disclosed
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