SCHEMBL7640930

SCHEMBL7640930

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LSS P48449 2/20 0.41
KCNH2 Q12809 2/20 0.41
PTGS2 P35354 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 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
SCHEMBL7641170 0.89 MAPT (0.58) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL7642021 0.88 MAPT (0.69) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL7644563 0.85 MEN1 (0.47) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL7640106 0.84 TDP1 (0.45) MAPTL3MBTL1ALDH1A1TDP1RECQL
SCHEMBL7638988 0.83 TDP1 (0.44) MAPTL3MBTL1ALDH1A1TDP1
SCHEMBL7641867 0.83 TDP1 (0.44) MAPTL3MBTL1ALDH1A1TDP1
SCHEMBL7644665 0.82 MAPT (0.50) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL7062576 0.82 HTR2A (0.42) MAPTALDH1A1KMT2AKDM4EKCNH2
SCHEMBL7634847 0.80 TDP1 (0.49) MAPTL3MBTL1ALDH1A1KMT2ATDP1
SCHEMBL7640310 0.80 MAPT (0.67) 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