SCHEMBL7056500

SCHEMBL7056500

CC(=O)C(C(=O)OC(C)C)C(C)c1c([N+](=O)[O-])ccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPRT1 P00492 1/20 0.37
NCEH1 Q6PIU2 2/20 0.36
TSHR P16473 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
GAA P10253 1/20 0.35
CASP6 P55212 1/20 0.35
CTSB P07858 1/20 0.34
KCNJ11 Q14654 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
SCHEMBL7058541 0.89 ALDH1A1 (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7060242 0.87 ALDH1A1 (0.45) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7061456 0.84 ALDH1A1 (0.39) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7059734 0.81 TSHR (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL12894166 0.78 ALDH1A1 (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7058760 0.78 ALDH1A1 (0.52) ALDH1A1MAPTHTTNPSR1TSHR
SCHEMBL12894184 0.77 MEN1 (0.43) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7062421 0.75 LMNA (0.39) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL7056503 0.74 NCEH1 (0.39) MEN1KMT2AALDH1A1MAPTHPRT1
SCHEMBL18622105 0.74 ALDH1A1 (0.55) MEN1KMT2AALDH1A1LMNAMAPT

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