SCHEMBL9709357

SCHEMBL9709357

CC(C)C(OC(=O)/C=C/C(=O)OC(C(C)C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.46
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CA12 O43570 1/20 0.32
AKR1B10 O60218 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
AKR1B1 P15121 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL9709365 0.92 HCAR2 (0.61) HCAR2KEAP1NFE2L2
SCHEMBL9709370 0.92 HCAR2 (0.61) HCAR2KEAP1NFE2L2
SCHEMBL1321967 0.82 HCAR2 (0.43) HCAR2KEAP1NFE2L2CA12AKR1B10
SCHEMBL9709216 0.78 HCAR2 (0.48) HCAR2KEAP1NFE2L2CA12AKR1B10
SCHEMBL10457737 0.77 HCAR2 (0.39) HCAR2KEAP1NFE2L2
SCHEMBL1321968 0.76 HCAR2 (0.57) HCAR2
SCHEMBL1321635 0.76 HCAR2 (0.38) HCAR2
SCHEMBL1321970 0.76 HCAR2 (0.57) HCAR2
SCHEMBL12207104 0.75 TSHR (0.50)
SCHEMBL12233459 0.75 TSHR (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244835-B1 LANGMUIR-BLODGETT ULTRATHIN MEMBRANE OF POLYFUMURATE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-08-26 EP claimed
EP-0192997-B1 METHOD FOR MODIFYING POLYFUMARIC ACID DIESTER NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-04-29 EP claimed
US-4907038-A Langmuir Blodgett ultrathin membrane of polyfumarate NIPPON OIL AND FATS CO., LTD. (JP) 1990-03-06 US claimed
EP-0244835-A2 Langmuir-Blodgett ultrathin membrane of polyfumurate NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-11-11 EP claimed
EP-0192997-A2 Method for modifying polyfumaric acid diester NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1986-09-03 EP claimed
EP-0244835-B1 LANGMUIR-BLODGETT ULTRATHIN MEMBRANE OF POLYFUMURATE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-08-26 EP disclosed
EP-0192997-B1 METHOD FOR MODIFYING POLYFUMARIC ACID DIESTER NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-04-29 EP disclosed
US-4907038-A Langmuir Blodgett ultrathin membrane of polyfumarate NIPPON OIL AND FATS CO., LTD. (JP) 1990-03-06 US disclosed
EP-0244835-A2 Langmuir-Blodgett ultrathin membrane of polyfumurate NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-11-11 EP disclosed
US-4670520-A HEATING NIPPON OIL & FAT CO., LTD. (JP) 1987-06-02 US disclosed