SCHEMBL7058010

SCHEMBL7058010

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
NCEH1 Q6PIU2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HPRT1 P00492 1/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HNF4A P41235 1/20 0.37
TNF P01375 1/20 0.36
NOD1 Q9Y239 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CASP6 P55212 1/20 0.35

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
SCHEMBL7057128 0.88 MEN1 (0.42) KDM4EMEN1MAPTKMT2ANCEH1
SCHEMBL7060413 0.86 MAPT (0.48) KDM4EMEN1MAPTKMT2ANCEH1
SCHEMBL7061472 0.84 MAPT (0.44) KDM4EMEN1MAPTKMT2ANCEH1
SCHEMBL7056538 0.81 TSHR (0.45) MEN1MAPTKMT2ANCEH1TSHR
SCHEMBL7062572 0.80 MAPT (0.42) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL7056503 0.80 NCEH1 (0.39) KDM4EMEN1MAPTKMT2ANCEH1
SCHEMBL7060846 0.78 POLB (0.47) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL7060407 0.77 MAPT (0.44) KDM4EMEN1MAPTKMT2ANCEH1
SCHEMBL7057126 0.76 MAPT (0.35) KDM4EMEN1MAPTKMT2ANCEH1
SCHEMBL7057945 0.76 CDYL (0.48) KDM4EKMT2AALDH1A1

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