SCHEMBL7061785

SCHEMBL7061785

CC(C)OC(=O)C(CCc1cccc2ccccc12)=NO

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDYL Q9Y232 1/20 0.44
ABCB1 P08183 4/20 0.44
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MTNR1A P48039 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
MCL1 Q07820 1/20 0.39

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
SCHEMBL7061784 1.00 CDYL (0.44) CDYLABCB1ALDH1A1POLBKDM4E
SCHEMBL7059673 0.85 NCEH1 (0.39) ALDH1A1POLB
SCHEMBL7057324 0.85 LMNA (0.37) ABCB1ALDH1A1POLBKDM4E
SCHEMBL7057322 0.85 LMNA (0.37) ABCB1ALDH1A1POLBKDM4E
SCHEMBL7059670 0.85 NCEH1 (0.39) ALDH1A1POLB
SCHEMBL7060229 0.85 MTNR1A (0.48) CDYLALDH1A1KDM4EMTNR1AL3MBTL1
SCHEMBL7060227 0.85 MTNR1A (0.48) CDYLALDH1A1KDM4EMTNR1AL3MBTL1
SCHEMBL7057945 0.84 CDYL (0.48) CDYLABCB1ALDH1A1POLBKDM4E
SCHEMBL7061767 0.83 CDYL (0.51) CDYLABCB1ALDH1A1KDM4EMTNR1A
SCHEMBL7061764 0.83 CDYL (0.51) CDYLABCB1ALDH1A1KDM4EMTNR1A

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-0937703-B1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-05-21 EP disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed