SCHEMBL6809302

SCHEMBL6809302

CC(C(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MGLL Q99685 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 3/20 0.51
TP53 P04637 1/20 0.50
HTR2A P28223 1/20 0.49
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
ALOX5 P09917 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL6810222 1.00 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MGLLKMT2AMEN1
SCHEMBL20943611 0.84 MGLL (0.54) ALDH1A1SMN1; SMN2MGLLKMT2AMEN1
SCHEMBL6809332 0.82 PTGS2 (0.67) KMT2AGAAHTR2ABCL9CTNNB1
SCHEMBL6809334 0.82 PTGS2 (0.67) KMT2AGAAHTR2ABCL9CTNNB1
SCHEMBL27165284 0.82 MGLL (0.53) ALDH1A1SMN1; SMN2MGLLKMT2AGAA
SCHEMBL1046956 0.82 L3MBTL1 (0.61) ALDH1A1MGLLKMT2AMEN1GAA
SCHEMBL10029026 0.82 L3MBTL1 (0.61) ALDH1A1MGLLKMT2AMEN1GAA
SCHEMBL4683792 0.81 GAA (0.60) ALDH1A1SMN1; SMN2MGLLKMT2AMEN1
Iodide SCHEMBL28946796 0.81 L3MBTL1 (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8818613 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MGLLKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4709082-A 2-phenylpropionic acid esters, method for optical resolution thereof and optically active substance thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1987-11-24 US claimed
US-20040014161-A1 pH-indicator based assay for selective enzymes THERMOGEN, INC. 2004-01-22 US disclosed
US-20020177180-A1 pH-indicator based assay for selective enzymes THERMOGEN, INC. 2002-11-28 US disclosed
EP-1090139-A1 PH-INDICATOR BASED ASSAY FOR SELECTIVE ENZYMES Thermogen, Inc. (US) 2001-04-11 EP disclosed
WO-1999067420-A1 pH-INDICATOR BASED ASSAY FOR SELECTIVE ENZYMES THERMOGEN, INC. (US) 1999-12-29 WO disclosed
EP-0179487-B1 2-PHENYLPROPIONIC ACID ESTERS, METHOD FOR OPTICAL RESOLUTION THEREOF AND OPTICALLY ACTIVE SUBSTANCE THEREOF NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-08-10 EP disclosed
US-4709082-A 2-phenylpropionic acid esters, method for optical resolution thereof and optically active substance thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1987-11-24 US disclosed
EP-0179487-A1 2-Phenylpropionic acid esters, method for optical resolution thereof and optically active substance thereof NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-04-30 EP disclosed