SCHEMBL7055394

SCHEMBL7055394

COC(=O)C(CCc1ccc(Cl)cc1)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
DPP4 P27487 1/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
CNR1 P21554 1/20 0.41
FPR2 P25090 1/20 0.41
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR2 P34972 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
SCHEMBL7057182 0.86 EPHX2 (0.44) GAAALDH1A1POLBCYP1A2CYP2C19
SCHEMBL7062574 0.85 MEN1 (0.41) GAADPP4ALDH1A1POLBCYP1A2
SCHEMBL7061441 0.84 TSHR (0.47) GAADPP4POLBKDM4EFPR2
SCHEMBL7058164 0.84 SMN1; SMN2 (0.54) ALDH1A1POLBKMT2A
SCHEMBL7061793 0.84 TSHR (0.49) ALDH1A1CYP2C19KMT2AL3MBTL1CNR2
SCHEMBL8624912 0.84 CYP3A4 (0.45) GAADPP4CYP1A2CYP2D6CYP2C19
SCHEMBL7056922 0.82 TAAR1 (0.45) GAAALDH1A1POLBCNR1KMT2A
SCHEMBL7059056 0.81 PPARA (0.49) GAAALDH1A1POLBCYP1A2CYP2C19
SCHEMBL17590264 0.81 L3MBTL1 (0.48) GAADPP4ALDH1A1POLBCYP1A2
SCHEMBL3715941 0.81 DPP4 (0.47) GAADPP4ALDH1A1POLBCYP1A2

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