SCHEMBL7058542

SCHEMBL7058542

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 4/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPRT1 P00492 1/20 0.36
CYP1A2 P05177 1/20 0.36
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
SCHEMBL7060244 0.90 L3MBTL1 (0.46) NCEH1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7056503 0.89 NCEH1 (0.39) NCEH1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7061458 0.87 KMT2A (0.38) NCEH1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7056410 0.82 NCEH1 (0.48) NCEH1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7060403 0.81 ALDH1A1 (0.39) NCEH1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7057116 0.79 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL7060413 0.77 MAPT (0.48) NCEH1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7060369 0.75 MTNR1A (0.48) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL7062709 0.74 NCEH1 (0.44) NCEH1ALDH1A1MAPT
SCHEMBL7060992 0.74 NCEH1 (0.44) NCEH1MEN1KMT2A

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