SCHEMBL7061986

SCHEMBL7061986

CCOC(=O)C(CCc1ccc(F)cc1)=NO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 2/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CTBP2 P56545 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
HPGD P15428 2/20 0.42
CES2 O00748 1/20 0.41
ACHE P22303 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL7061984 1.00 MAPT (0.47) MAPTMEN1KMT2ACYP1A2LMNA
SCHEMBL16595679 0.87 MAPT (0.40) MAPTMEN1KMT2ACYP1A2LMNA
SCHEMBL7062418 0.85 KYAT1 (0.48) MAPTMEN1KMT2ACYP1A2LMNA
SCHEMBL7062416 0.85 KYAT1 (0.48) MAPTMEN1KMT2ACYP1A2LMNA
SCHEMBL7061447 0.85 CTBP2 (0.49) KMT2ACTBP2HPGDFFAR1FFAR4
SCHEMBL7061445 0.85 CTBP2 (0.49) KMT2ACTBP2HPGDFFAR1FFAR4
SCHEMBL7058582 0.85 L3MBTL1 (0.50) MAPTMEN1KMT2ACTBP2CYP4F2
SCHEMBL7058666 0.82 LMNA (0.47) LMNACTBP2KDM4EGAATDP1
SCHEMBL7058664 0.82 LMNA (0.47) LMNACTBP2KDM4EGAATDP1
SCHEMBL7059125 0.81 MAPT (0.51) MAPTMEN1KMT2ACYP1A2LMNA

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