SCHEMBL8662435

SCHEMBL8662435

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
MAPT P10636 2/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 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
SCHEMBL8662442 0.93 HCAR2 (0.41) HCAR2MAPT
SCHEMBL9861013 0.81 HCAR2 (0.33) KEAP1NFE2L2HCAR2MAPTCACNA1B
SCHEMBL9860291 0.81 HCAR2 (0.33) KEAP1NFE2L2HCAR2MAPTCACNA1B
SCHEMBL9860300 0.75 HCAR2 (0.42) HCAR2MAPT
SCHEMBL9861015 0.75 HCAR2 (0.42) HCAR2MAPT
SCHEMBL9860304 0.75 HCAR2 (0.42) HCAR2MAPT
SCHEMBL10557451 0.74 HCAR2 (0.43) HCAR2
SCHEMBL9350655 0.72 MAPT (0.39) MAPT
SCHEMBL9727769 0.72 HCAR2 (0.40) HCAR2MAPT
SCHEMBL28560682 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0580435-B1 Diester monomer, its polymer, water-containing soft contact lens, and processing solution for contact lens NOF CORP (JP) 1998-09-16 EP disclosed
US-5466853-A Diester monomer, its polymer, water-containing soft contact lens, and processing solution for contact lens NOF CORPORATION (JP) 1995-11-14 US disclosed
EP-0580435-A1 Diester monomer, its polymer, water-containing soft contact lens, and processing solution for contact lens NOF CORPORATION (JP) 1994-01-26 EP disclosed