SCHEMBL8108900

SCHEMBL8108900

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]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.54
▸ P4HB P07237 1/20 0.52
▸ PDIA4 P13667 1/20 0.52
▸ PDIA3 P30101 1/20 0.52
▸ PRKCA P17252 1/20 0.50
▸ AKT1 P31749 1/20 0.50
▸ PTK2 Q05397 1/20 0.50
▸ CA12 O43570 12/20 0.49
▸ CA1 P00915 12/20 0.49
▸ CA2 P00918 12/20 0.49
▸ CA9 Q16790 12/20 0.49
▸ ANTXR2 P58335 1/20 0.49
▸ CA14 Q9ULX7 4/20 0.48
▸ PTPN1 P18031 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CA4 P22748 2/20 0.46
▸ CA6 P23280 2/20 0.46
▸ CA5A P35218 2/20 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
SCHEMBL8101493 0.93 TSHR (0.61) TSHRP4HBPDIA4PDIA3CA12
SCHEMBL8376183 0.87 P4HB (0.57) TSHRP4HBPDIA4PDIA3PRKCA
SCHEMBL8376188 0.87 P4HB (0.57) TSHRP4HBPDIA4PDIA3PRKCA
SCHEMBL1726710 0.82 P4HB (0.61) TSHRP4HBPDIA4PDIA3CA12
SCHEMBL8654501 0.82 P4HB (0.61) TSHRP4HBPDIA4PDIA3CA12
SCHEMBL4368202 0.82 TSHR (0.64) TSHRP4HBPDIA4PDIA3CA12
SCHEMBL12651652 0.81 P4HB (0.59) TSHRP4HBPDIA4PDIA3PRKCA
SCHEMBL12651802 0.81 P4HB (0.59) TSHRP4HBPDIA4PDIA3PRKCA
SCHEMBL8109770 0.77 TSHR (0.60) TSHRCA12CA1CA2CA9
SCHEMBL11154076 0.77 MEN1 (0.56) TSHRP4HBPDIA4PDIA3PRKCA

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 7 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
EP-0684254-B1 Propiophenone derivative and a process for preparing the same TANABE SEIYAKU CO (JP) 1999-03-24 — — EP disclosed
US-5830873-A ANTIDIABETIC AGENT TANABE SEIYAKU CO., LTD. (JP) 1998-11-03 — — US disclosed
US-5731292-A ANTIDIABETIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1998-03-24 — — US disclosed
EP-0684254-A1 Propiophenone derivative and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1995-11-29 — — EP 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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