SCHEMBL7060244

SCHEMBL7060244

CCOC(=O)C(CCc1c([N+](=O)[O-])ccc2ccccc12)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 6/20 0.43
GAA P10253 2/20 0.43
NCEH1 Q6PIU2 4/20 0.41
MAPT P10636 5/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TLR9 Q9NR96 1/20 0.39
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.36

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
SCHEMBL7058542 0.90 NCEH1 (0.43) ALDH1A1NCEH1MAPTKDM4EKMT2A
SCHEMBL7061458 0.88 KMT2A (0.38) L3MBTL1ALDH1A1GAANCEH1MAPT
SCHEMBL7056503 0.88 NCEH1 (0.39) L3MBTL1ALDH1A1NCEH1MAPTHSP90AA1
SCHEMBL7059228 0.82 TSHR (0.45) L3MBTL1ALDH1A1GAANCEH1MAPT
SCHEMBL7061000 0.81 L3MBTL1 (0.39) L3MBTL1ALDH1A1GAANCEH1MAPT
SCHEMBL7061954 0.80 L3MBTL1 (0.55) L3MBTL1ALDH1A1GAAMAPTMAPK1
SCHEMBL7061472 0.79 MAPT (0.44) ALDH1A1GAANCEH1MAPTMITF
SCHEMBL7060206 0.76 KMT2A (0.47) L3MBTL1ALDH1A1HPGDKDM4EKMT2A
SCHEMBL7061003 0.75 MAPT (0.40) L3MBTL1ALDH1A1GAANCEH1MAPT
SCHEMBL7061781 0.74 PRNP (0.42) L3MBTL1ALDH1A1NCEH1MAPTHPGD

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