SCHEMBL7057074

SCHEMBL7057074

CCOC(=O)C(C(C)=O)C(C)c1ccccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
PLIN1 O60240 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PLIN5 Q00G26 1/20 0.43
ABHD5 Q8WTS1 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PIN1 Q13526 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL14874397 0.86 KMT2A (0.47) KMT2APOLBMEN1PLIN1LMNA
SCHEMBL7061426 0.86 LPAR1 (0.43) KMT2APOLBL3MBTL1HTTNPSR1
SCHEMBL7058715 0.85 TP53 (0.43) KMT2APOLBMEN1LMNAL3MBTL1
SCHEMBL7055378 0.85 CA1 (0.52) KMT2APOLBMEN1L3MBTL1HTT
SCHEMBL7062588 0.84 KCNK3 (0.41) KMT2APOLBLMNAL3MBTL1HTT
SCHEMBL7061295 0.83 ADRA1A (0.47) KMT2AMEN1LMNAMAPTHTT
SCHEMBL7061451 0.82 PIN1 (0.42) KMT2APOLBMEN1LMNAMAPT
SCHEMBL21034066 0.82 KMT2A (0.49) KMT2APOLBMEN1PLIN1LMNA
SCHEMBL14874412 0.81 KMT2A (0.44) KMT2APOLBMEN1PLIN1LMNA
SCHEMBL14874489 0.81 KMT2A (0.44) KMT2APOLBMEN1PLIN1LMNA

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