SCHEMBL7060447

SCHEMBL7060447

CC(=O)C(CCc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.52
ATM Q13315 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RAB9A P51151 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL7059147 1.00 CTSL (0.52) CTSLATMMEN1KMT2ARAB9A
SCHEMBL7059676 0.87 ALDH1A1 (0.56) CTSLKMT2ATDP1ALDH1A1
SCHEMBL7062312 0.85 MAOB (0.45) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL7062603 0.85 MAPT (0.56) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL7060664 0.83 TSHR (0.47) CTSLMEN1KMT2ARAB9AALDH1A1
SCHEMBL7640704 0.83 MAPT (0.65) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL10531078 0.83 TSHR (0.53) MEN1KMT2ARAB9ATDP1ALDH1A1
SCHEMBL6076979 0.82 RAB9A (0.53) CTSLATMMEN1KMT2ARAB9A
SCHEMBL6076971 0.82 RAB9A (0.53) CTSLATMMEN1KMT2ARAB9A
SCHEMBL7059056 0.82 PPARA (0.49) MEN1KMT2ARAB9AALDH1A1MAPT

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