SCHEMBL7795884

SCHEMBL7795884

COc1c(C)cc(CC(=O)O)cc1C(C)(C)CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.37
THRA P10827 6/20 0.37
NR1H4 Q96RI1 3/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
PTGS1 P23219 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA5A P35218 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
RXRA P19793 1/20 0.34
PPARG P37231 1/20 0.34
ACLY P53396 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7796602 0.87 THRB (0.40) THRBTHRANR1H4ALDH1A1GAA
SCHEMBL7786485 0.87 NR1H4 (0.43) THRBTHRANR1H4ALDH1A1GAA
SCHEMBL7796633 0.86 FFAR4 (0.41) THRBTHRAALDH1A1RXRA
SCHEMBL7796619 0.85 NR1H4 (0.45) THRBTHRANR1H4ALDH1A1GAA
SCHEMBL7795934 0.85 THRB (0.39) THRBTHRANR1H4ALDH1A1GAA
SCHEMBL7795888 0.84 THRB (0.44) THRBTHRANR1H4ALDH1A1GAA
SCHEMBL287411 0.82 THRB (0.49) THRBTHRAALDH1A1GAAPTGS1
SCHEMBL7792782 0.81 HMGB1 (0.38) THRBTHRANR1H4ALDH1A1GAA
SCHEMBL7792416 0.80 TPMT (0.40) ALDH1A1TDP1CA5AL3MBTL1
SCHEMBL6567275 0.80 TNKS2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed