SCHEMBL7636833

SCHEMBL7636833

CC(=O)C(CCCc1cccc(Cl)c1)C(=O)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.43
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAOB P27338 4/20 0.40
MAOA P21397 3/20 0.40
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7061734 0.92 HPGD (0.44) SLC2A1HPGDALOX15MAPTALDH1A1
SCHEMBL7642010 0.87 SLC2A1 (0.45) SLC2A1HPGDMAPTALDH1A1MAOB
SCHEMBL7635571 0.86 MAPK1 (0.48) SLC2A1MAPTALDH1A1MAOBPLAAT3
SCHEMBL7641717 0.84 TSHR (0.47) HPGDALDH1A1CYP2C9TSHRMAPK1
SCHEMBL7640217 0.84 MTNR1A (0.53) ALDH1A1TSHRMAPK1
SCHEMBL7640602 0.84 HCAR2 (0.45) HPGDMAPTALDH1A1MAOBMAOA
SCHEMBL11264972 0.81 ALDH1A1 (0.42) SLC2A1HPGDMAPTALDH1A1PLAAT3
SCHEMBL7642753 0.80 TSHR (0.46) HPGDMAPTALDH1A1CYP2C9TSHR
SCHEMBL11210243 0.79 MAPK1 (0.54) MAPTALDH1A1MAOBMEN1TSHR
SCHEMBL7644639 0.79 TSHR (0.45) HPGDMAPTALDH1A1CYP2C9TSHR

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