SCHEMBL7058019

SCHEMBL7058019

CCOC(=O)C(CCc1ccccc1[N+](=O)[O-])C(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.62
ALDH1A1 P00352 6/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TSHR P16473 1/20 0.45
MAOB P27338 1/20 0.45
MAPK1 P28482 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
SCHEMBL7061954 0.93 L3MBTL1 (0.55) L3MBTL1ALDH1A1GAAMAPTCRHBP
SCHEMBL27973237 0.92 L3MBTL1 (0.66) L3MBTL1ALDH1A1GAAMAPTCRHBP
SCHEMBL27973235 0.92 L3MBTL1 (0.66) L3MBTL1ALDH1A1GAAMAPTCRHBP
SCHEMBL4656789 0.87 L3MBTL1 (0.51) L3MBTL1ALDH1A1GAAMEN1KMT2A
SCHEMBL1572954 0.87 L3MBTL1 (0.56) L3MBTL1ALDH1A1GAAMAPTCRHBP
SCHEMBL7055419 0.87 ALDH1A1 (0.56) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL30619954 0.87 L3MBTL1 (0.56) L3MBTL1ALDH1A1GAAMAPTCRHBP
SCHEMBL28800087 0.87 L3MBTL1 (0.60) L3MBTL1ALDH1A1GAAMAPTCRHBP
SCHEMBL10907318 0.86 L3MBTL1 (0.50) L3MBTL1ALDH1A1GAAMAPTMEN1
SCHEMBL8649477 0.85 L3MBTL1 (0.49) L3MBTL1ALDH1A1GAAMAPTCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892727-A1 FABRIC PRETREATMENT FOR DIGITAL PRINTING Lubrizol Advanced Materials, Inc. (US) 2015-07-15 EP disclosed
WO-2014039306-A1 FABRIC PRETREATMENT FOR DIGITAL PRINTING LUBRIZOL ADVANCED MATERIALS, INC. (US) 2014-03-13 WO disclosed
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