SCHEMBL7060664

SCHEMBL7060664

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KCNH2 Q12809 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
MAOB P27338 1/20 0.43
KCNJ1 P48048 1/20 0.43
GAA P10253 1/20 0.43
CTSL P07711 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42

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
SCHEMBL7062603 0.88 MAPT (0.56) TSHRMAPTRAB9AKMT2AMEN1
SCHEMBL7055475 0.86 HTR2A (0.45) TSHRMAPTRAB9AKMT2AMEN1
SCHEMBL6311420 0.86 MEN1 (0.47) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL10531078 0.85 TSHR (0.53) TSHRMAPTRAB9AKMT2AMEN1
SCHEMBL7060447 0.83 CTSL (0.52) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL7059147 0.83 CTSL (0.52) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL7258072 0.83 KMT2A (0.51) TSHRMAPTRAB9AKMT2AMEN1
SCHEMBL2603379 0.82 TSHR (0.49) TSHRMAPTRAB9AKMT2AMEN1
SCHEMBL5692057 0.82 ALDH1A1 (0.50) TSHRMAPTRAB9AKMT2AMEN1
SCHEMBL2234342 0.81 PTPRB (0.52) TSHRMAPTRAB9AKMT2AMEN1

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