SCHEMBL7058664

SCHEMBL7058664

O=C(OCc1ccccc1)/C(CCc1ccc(F)cc1)=N\O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
CTBP2 P56545 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
FFAR1 O14842 5/20 0.43
FFAR4 Q5NUL3 2/20 0.43
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
AKR1C3 P42330 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
SCHEMBL7058666 1.00 LMNA (0.47) LMNAGAACTBP2KDM4EALDH1A1
SCHEMBL7061545 0.92 TDP1 (0.50) LMNACTBP2ALDH1A1FFAR1FFAR4
SCHEMBL7056964 0.86 MEN1 (0.50) CTBP2ALDH1A1PLAAT3PLAAT5PLAAT2
SCHEMBL7056959 0.86 MEN1 (0.50) CTBP2ALDH1A1PLAAT3PLAAT5PLAAT2
SCHEMBL7057254 0.84 NPC1 (0.55) CTBP2ALDH1A1PLAAT3PLAAT5PLAAT2
SCHEMBL7642801 0.83 HDAC1 (0.54) LMNACTBP2ALDH1A1TDP1
SCHEMBL7061979 0.83 PLAAT3 (0.57) LMNAGAAKDM4EALDH1A1PLAAT3
SCHEMBL7058683 0.82 MAPT (0.52) LMNAALDH1A1TDP1
SCHEMBL7635947 0.82 MAPT (0.45) LMNAALDH1A1FFAR1
SCHEMBL7060327 0.82 MAPT (0.52) LMNAALDH1A1TDP1

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