SCHEMBL7060040

SCHEMBL7060040

CC(=O)C(C(=O)OC(C)C)C(C)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
UGT2B7 P16662 1/20 0.46
MMP9 P14780 1/20 0.43
GLA P06280 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
ATM Q13315 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A3 Q01959 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7059120 0.87 UGT2B7 (0.47) UGT2B7MMP9GLAMEN1KMT2A
SCHEMBL7061755 0.84 SMN1; SMN2 (0.48) TDP1UGT2B7MMP9GLAMEN1
SCHEMBL7055439 0.81 ALDH1A1 (0.45) UGT2B7GLAMEN1KMT2ACYP2D6
SCHEMBL7061305 0.78 TDP1 (0.52) L3MBTL1TDP1MEN1KMT2ACYP1A2
SCHEMBL7059687 0.77 CYP2C19 (0.46) L3MBTL1TDP1KMT2ACYP1A2TSHR
SCHEMBL7061732 0.77 HPGD (0.47) MEN1KMT2ACYP1A2TSHRSLC6A3
SCHEMBL7062569 0.76 BRD4 (0.54) L3MBTL1TDP1MEN1KMT2ACYP1A2
SCHEMBL7062394 0.76 MAPT (0.39) L3MBTL1TDP1MEN1KMT2ASLC6A3
SCHEMBL7062421 0.74 LMNA (0.39) MEN1KMT2ACYP1A2LMNA
SCHEMBL7055598 0.74 CES2 (0.47) L3MBTL1MEN1KMT2ACYP1A2ATM

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