SCHEMBL7057046

SCHEMBL7057046

CCOC(=O)C(CCc1ccccc1C)=NO

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.51
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
GAA P10253 4/20 0.41
ALDH1A1 P00352 4/20 0.40
DHODH Q02127 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NOTUM Q6P988 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7061761 0.87 CTBP2 (0.53) CTBP2CYP4F2CYP4A11GAAALDH1A1
SCHEMBL7057964 0.86 CTBP2 (0.50) CTBP2ALDH1A1KMT2A
SCHEMBL7061469 0.86 CYP4F2 (0.44) CTBP2CYP4F2CYP4A11APOBEC3AAPOBEC3G
SCHEMBL7061467 0.86 CYP4F2 (0.44) CTBP2CYP4F2CYP4A11APOBEC3AAPOBEC3G
SCHEMBL20543691 0.85 CTBP2 (0.67) CTBP2CYP4F2CYP4A11APOBEC3AAPOBEC3G
SCHEMBL20543689 0.85 CTBP2 (0.67) CTBP2CYP4F2CYP4A11APOBEC3AAPOBEC3G
SCHEMBL7058695 0.85 KMT2A (0.47) CYP4F2CYP4A11GAAALDH1A1MEN1
SCHEMBL7061767 0.83 CDYL (0.51) CYP4F2CYP4A11APOBEC3AAPOBEC3GALDH1A1
SCHEMBL7061764 0.83 CDYL (0.51) CYP4F2CYP4A11APOBEC3AAPOBEC3GALDH1A1
SCHEMBL7061889 0.83 MEN1 (0.43) CTBP2CYP4F2CYP4A11APOBEC3AAPOBEC3G

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