SCHEMBL10780935

SCHEMBL10780935

COC(=O)C(=CO)C(=O)OC.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL10377692 0.97 ALDH1A1 (0.41) ALDH1A1KEAP1NFE2L2HCAR2MAPT
SCHEMBL29039595 0.83 ALDH1A1 (0.42) ALDH1A1KEAP1NFE2L2HCAR2MAPT
SCHEMBL16317252 0.83 ALDH1A1 (0.42) ALDH1A1KEAP1NFE2L2HCAR2MAPT
SCHEMBL22295830 0.79 ALDH1A1 (0.33) ALDH1A1KEAP1NFE2L2HCAR2MAPT
SCHEMBL14518026 0.76 ALDH1A1 (0.31) ALDH1A1MAPTHPGDRECQL
SCHEMBL31705515 0.76 MGAM (0.41) ALDH1A1MAPT
SCHEMBL2474496 0.75 ALDH1A1 (0.43) ALDH1A1KEAP1NFE2L2HCAR2MAPT
SCHEMBL28352138 0.74 ALDH1A1 (0.38) ALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL28352291 0.73
SCHEMBL27959269 0.73 ALDH1A1 (0.53) ALDH1A1KEAP1NFE2L2HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4665218-A Method for the preparation of alkoxymethylene compounds of acetic esters and substituted acetic esters DYNAMIT NOBEL AG (DE) 1987-05-12 US disclosed