SCHEMBL7058715

SCHEMBL7058715

CCOC(=O)C(C(C)=O)C(C)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
PIN1 Q13526 1/20 0.41
NLRP3 Q96P20 3/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ESR1 P03372 1/20 0.38
MMP8 P22894 1/20 0.38
CASP1 P29466 1/20 0.38
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7060691 0.86 CYP3A4 (0.40) SMN1; SMN2NLRP3TSHRMEN1KMT2A
SCHEMBL7060350 0.85 ALDH1A1 (0.53) SMN1; SMN2TDP1KMT2ANPC1MAPK1
SCHEMBL7061451 0.85 PIN1 (0.42) TP53SMN1; SMN2PIN1NLRP3TSHR
SCHEMBL7057074 0.85 KMT2A (0.43) TP53SMN1; SMN2TDP1PIN1TSHR
SCHEMBL7061326 0.84 ESR1 (0.38) SMN1; SMN2TDP1NLRP3TSHRPOLB
SCHEMBL7060201 0.82 ALDH1A1 (0.46) TP53SMN1; SMN2KMT2AALDH1A1
SCHEMBL7062379 0.82 SMN1; SMN2 (0.44) TP53SMN1; SMN2NLRP3TSHRMEN1
SCHEMBL11458679 0.81 MMP8 (0.50) TP53SMN1; SMN2TDP1PIN1TSHR
SCHEMBL7061952 0.80 ALDH1A1 (0.55) SMN1; SMN2TDP1TSHRMEN1KMT2A
SCHEMBL363983 0.80 TSHR (0.48) SMN1; SMN2TDP1PIN1NLRP3TSHR

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