SCHEMBL7640310

SCHEMBL7640310

CC(=O)C(CCCCOc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)C

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
CRHBP P24387 1/20 0.67
CRHR2 Q13324 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.65
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
KCNH2 Q12809 3/20 0.45
ACHE P22303 1/20 0.44
SLC6A4 P31645 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL7639051 0.88 MAPT (0.70) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL7640823 0.87 MAPT (0.88) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL7641777 0.84 MEN1 (0.58) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL7637931 0.82 TDP1 (0.56) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL7640704 0.82 MAPT (0.65) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL7640827 0.81 TDP1 (0.55) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL7643116 0.81 TDP1 (0.55) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL3008936 0.80 MAPT (0.79) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL7055475 0.80 HTR2A (0.45) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL7640930 0.80 MAPT (0.56) MAPTCRHBPCRHR2L3MBTL1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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