SCHEMBL7061979

SCHEMBL7061979

O=C(CCc1ccc(F)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.57
PLAAT5 Q96KN8 1/20 0.57
PLAAT2 Q9NWW9 1/20 0.57
PLAAT4 Q9UL19 1/20 0.57
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
FFAR1 O14842 5/20 0.48
FFAR4 Q5NUL3 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
HCAR2 Q8TDS4 1/20 0.45

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
SCHEMBL7060700 0.91 TDP1 (0.56) PLAAT5PLAAT4LMNAALDH1A1FFAR1
SCHEMBL7061713 0.85 PLAAT3 (0.57) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL20023025 0.85 PLAAT3 (0.57) PLAAT3PLAAT5PLAAT2PLAAT4LMNA
SCHEMBL7635587 0.84 ALDH1A1 (0.54) LMNAALDH1A1KDM4EPPARGPPARA
SCHEMBL20023017 0.84 FFAR1 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL7058664 0.83 LMNA (0.47) PLAAT3PLAAT5PLAAT2PLAAT4LMNA
SCHEMBL7058666 0.83 LMNA (0.47) PLAAT3PLAAT5PLAAT2PLAAT4LMNA
SCHEMBL7059127 0.82 PLAAT3 (0.61) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL7058146 0.81 ALDH1A1 (0.57) ALDH1A1TDP1
SCHEMBL7058021 0.81 ALDH1A1 (0.57) ALDH1A1TDP1

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