SCHEMBL7056538

SCHEMBL7056538

CC(C)OC(=O)C(=O)CCc1ccc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
NCEH1 Q6PIU2 1/20 0.44
CYP3A4 P08684 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSP90AA1 P07900 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CDYL Q9Y232 1/20 0.35
HNF4A P41235 1/20 0.34
KCNJ11 Q14654 1/20 0.34
NPC1 O15118 1/20 0.34
TNF P01375 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
NOD1 Q9Y239 1/20 0.34

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
SCHEMBL7059828 0.88 NCEH1 (0.41) TSHRNCEH1CYP3A4MEN1KMT2A
SCHEMBL7057071 0.86 NCEH1 (0.50) TSHRNCEH1CYP3A4MEN1KMT2A
SCHEMBL7062430 0.84 TSHR (0.49) TSHRNCEH1CYP3A4KMT2ALMNA
SCHEMBL7060899 0.81 NCEH1 (0.42) NCEH1LMNAMAPTKCNJ11NPC1
SCHEMBL7057024 0.81 LMNA (0.40) NCEH1MEN1KMT2ALMNACDYL
SCHEMBL7058010 0.81 KDM4E (0.43) TSHRNCEH1MEN1KMT2AMAPT
SCHEMBL7057945 0.81 CDYL (0.48) KMT2ACDYLPOLB
SCHEMBL7061346 0.80 MAPT (0.41) TSHRNCEH1CYP3A4MEN1KMT2A
SCHEMBL7059738 0.80 NCEH1 (0.44) TSHRNCEH1CYP3A4MEN1KMT2A
SCHEMBL7060846 0.78 POLB (0.47) TSHRMEN1KMT2ANPC1POLB

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