SCHEMBL7642102

SCHEMBL7642102

CCOC(=O)C(CCCCCc1ccccc1)=NO

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ALOX5 P09917 4/20 0.49
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
FAAH O00519 4/20 0.46
CES1 P23141 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KDM4A O75164 1/20 0.45
KDM5A P29375 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
PHF8 Q9UPP1 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
ACHE P22303 1/20 0.43
SGMS1 Q86VZ5 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43

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
SCHEMBL7639005 1.00 MAPT (0.51) MAPTRXFP1ALOX5APOBEC3AAPOBEC3G
SCHEMBL7644768 0.99 ALOX5 (0.50) MAPTRXFP1ALOX5APOBEC3AAPOBEC3G
SCHEMBL7642349 0.94 ALOX5 (0.51) ALOX5APOBEC3AAPOBEC3GHDAC1HDAC2
SCHEMBL7058582 0.88 L3MBTL1 (0.50) MAPTALOX5APOBEC3AAPOBEC3GHDAC1
SCHEMBL7641958 0.87 MAPT (0.57) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL7643133 0.87 MAPT (0.57) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL7641725 0.86 MAPT (0.54) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL7634813 0.86 MAPT (0.54) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL7636850 0.86 MAPT (0.54) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL7640041 0.84 MAPT (0.51) MAPTRXFP1ALOX5HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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