SCHEMBL7059667

SCHEMBL7059667

CCOC(=O)C(/C=N\O)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAPT P10636 6/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.40
CTSL P07711 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL7059312 0.89 MAPT (0.46) MAPTALDH1A1KDM4ETSHRLMNA
SCHEMBL7062576 0.87 HTR2A (0.42) KCNJ1KCNH2MAPTALDH1A1KDM4E
SCHEMBL7060323 0.85 CTSL (0.50) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7058681 0.85 CTSL (0.50) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7062420 0.82 L3MBTL1 (0.46) L3MBTL1ALDH1A1GAATSHRKMT2A
SCHEMBL7058581 0.82 SMN1; SMN2 (0.49) MAPTL3MBTL1ALDH1A1TSHRLMNA
SCHEMBL7642021 0.81 MAPT (0.69) KCNH2MAPTCRHBPCRHR2L3MBTL1
SCHEMBL10610015 0.78 MAPT (0.51) KCNJ1KCNH2MAPTCRHBPCRHR2
SCHEMBL10610005 0.78 MAPT (0.51) KCNJ1KCNH2MAPTCRHBPCRHR2
SCHEMBL10610012 0.78 MAPT (0.51) KCNJ1KCNH2MAPTCRHBPCRHR2

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