SCHEMBL9861013

SCHEMBL9861013

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL9860291 1.00 HCAR2 (0.33) HCAR2KEAP1NFE2L2MAPTCACNA1B
SCHEMBL9860300 0.92 HCAR2 (0.42) HCAR2MAPTALDH1A1
SCHEMBL9860304 0.92 HCAR2 (0.42) HCAR2MAPTALDH1A1
SCHEMBL9861015 0.92 HCAR2 (0.42) HCAR2MAPTALDH1A1
SCHEMBL3666505 0.87 TSHR (0.38) ALDH1A1
SCHEMBL18378114 0.82 ALDH1A1 (0.31) MAPTALDH1A1
SCHEMBL9541542 0.82 HTT (0.37) MAPTALDH1A1
SCHEMBL8662435 0.81 KEAP1 (0.32) HCAR2KEAP1NFE2L2MAPTCACNA1B
SCHEMBL9541538 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5804465 0.80 GAA (0.41) MAPTALDH1A1

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
EP-0233299-B1 OPTICAL RESIN AND PROCESS FOR PREPARING THE SAME NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-03-13 EP claimed
US-4855374-A Optical resin from diallyl esters NIPPON OIL AND FATS CO., LTD. (JP) 1989-08-08 US claimed
EP-0233299-A1 Optical resin and process for preparing the same NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-08-26 EP claimed
EP-0233299-B1 OPTICAL RESIN AND PROCESS FOR PREPARING THE SAME NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-03-13 EP disclosed
US-4855374-A Optical resin from diallyl esters NIPPON OIL AND FATS CO., LTD. (JP) 1989-08-08 US disclosed
EP-0233299-A1 Optical resin and process for preparing the same NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-08-26 EP disclosed