SCHEMBL7055475

SCHEMBL7055475

CC(=O)C(CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 4/20 0.43
KCNH2 Q12809 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAOB P27338 1/20 0.41
KCNJ1 P48048 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CTSL P07711 2/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7060664 0.86 TSHR (0.47) TSHRKMT2AMEN1MAPTKCNH2
SCHEMBL7062603 0.85 MAPT (0.56) TSHRKMT2AMEN1MAPTKCNH2
SCHEMBL10531078 0.83 TSHR (0.53) TSHRKMT2AMEN1MAPTKCNH2
SCHEMBL8555676 0.83 TSHR (0.46) HTR2ATSHRKMT2AMEN1MAPT
SCHEMBL15658606 0.82 HTR2A (0.50) HTR2ATSHRKMT2AMEN1MAPT
SCHEMBL7059147 0.81 CTSL (0.52) KMT2AMEN1MAPTALDH1A1CTSL
SCHEMBL7060447 0.81 CTSL (0.52) KMT2AMEN1MAPTALDH1A1CTSL
SCHEMBL7062574 0.81 MEN1 (0.41) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL7062396 0.81 NPSR1 (0.41) TSHRKMT2AMEN1MAPTKDM4E
SCHEMBL7058762 0.81 POLB (0.46) TSHRKMT2AMEN1ALDH1A1MAOB

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