SCHEMBL7642010

SCHEMBL7642010

COC(=O)C(CCCc1cccc(Cl)c1)C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 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
SCHEMBL7056922 0.92 TAAR1 (0.45) SLC2A1TAAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7635571 0.88 MAPK1 (0.48) SLC2A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7636833 0.87 SLC2A1 (0.43) SLC2A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7640602 0.86 HCAR2 (0.45) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL7635607 0.84 MTNR1A (0.60) TAAR1ALDH1A1MTNR1AMTNR1B
SCHEMBL3348204 0.83 PNMT (0.49) SLC2A1ALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL6174065 0.83 CYP2D6 (0.45) ALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL21344577 0.82 FOLH1 (0.44) SLC2A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL11210243 0.81 MAPK1 (0.54) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL21344594 0.81 PLAAT3 (0.43) SLC2A1PLAAT3PLAAT5PLAAT2PLAAT4

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