SCHEMBL7597653

SCHEMBL7597653

NC(CCCCC(=O)O)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 16/20 0.47
GSTM2 P28161 15/20 0.47
MYC P01106 2/20 0.41
MAX P61244 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.40
HTT P42858 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
SCHEMBL3025724 0.84 GSTP1 (0.43) GSTP1GSTM2MYCMEN1KMT2A
Trifluoroacetic Acid SCHEMBL9102512 0.83 GSTP1 (0.40) GSTP1GSTM2MYCMAXMEN1
SCHEMBL8402336 0.81 GSTP1 (0.40) GSTP1GSTM2MEN1KMT2AUSP2
SCHEMBL3592647 0.79 GSTM2 (0.47) GSTP1GSTM2MYCMEN1KMT2A
SCHEMBL9279465 0.77 GSTP1 (0.42) GSTP1GSTM2MYCMAXMEN1
SCHEMBL7714790 0.76 GSTP1 (0.54) GSTP1GSTM2MYCMAXMEN1
SCHEMBL2818967 0.76 GRM8 (0.51) MEN1KMT2A
SCHEMBL31320344 0.74 GSTP1 (0.57) GSTP1GSTM2MYCMEN1KMT2A
SCHEMBL15515612 0.73 GSTM2 (0.76) GSTM2MYCMAXMEN1KMT2A
SCHEMBL285019 0.73 GSTM2 (0.76) GSTM2MYCMAXMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952186-A QUANTITATIVE ANALYSIS OF METHIONINE SULFOXIDE IN PEPTIDE OR PROTEIN SAMPLE BY MIXING WITH METHIONINE REDUCTASE IN PRESENCE OF REDUCING AGENT HAVING SULFHYDRYL GROUP AND REPORTER TAG, DETECTING AMOUNT OF OXIDIZED REDUCING AGENT PROMEGA CORPORATION (US) 1999-09-14 US claimed
EP-0900284-A1 NOVEL REAGENT, METHOD, AND KIT FOR THE QUANTITATION OF OXIDATION-REDUCTION PHENOMENA IN PROTEINS AND PEPTIDES PROMEGA CORPORATION (US) 1999-03-10 EP claimed
WO-1997039141-A1 NOVEL REAGENT, METHOD, AND KIT FOR THE QUANTITATION OF OXIDATION-REDUCTION PHENOMENA IN PROTEINS AND PEPTIDES PROMEGA CORPORATION (US) 1997-10-23 WO claimed
US-6417380-B1 POLYCYCLOALKYL KETONE CONTAINING FLUORESCENT CHROMOPHORE IS ALKYLATED TO POLYCYCLOALKYLIDENE ETHER IN PRESENCE OF ALKALI METAL ALKOXIDE IN POLAR APROTIC SOLVENT APPLIED BIOSYSTEMS, LLC 2002-07-09 US disclosed
US-5952186-A QUANTITATIVE ANALYSIS OF METHIONINE SULFOXIDE IN PEPTIDE OR PROTEIN SAMPLE BY MIXING WITH METHIONINE REDUCTASE IN PRESENCE OF REDUCING AGENT HAVING SULFHYDRYL GROUP AND REPORTER TAG, DETECTING AMOUNT OF OXIDIZED REDUCING AGENT PROMEGA CORPORATION (US) 1999-09-14 US disclosed
EP-0900284-A1 NOVEL REAGENT, METHOD, AND KIT FOR THE QUANTITATION OF OXIDATION-REDUCTION PHENOMENA IN PROTEINS AND PEPTIDES PROMEGA CORPORATION (US) 1999-03-10 EP disclosed
WO-1997039141-A1 NOVEL REAGENT, METHOD, AND KIT FOR THE QUANTITATION OF OXIDATION-REDUCTION PHENOMENA IN PROTEINS AND PEPTIDES PROMEGA CORPORATION (US) 1997-10-23 WO disclosed
EP-0497972-A1 CHEMILUMINESCENT 3-(SUBSTITUTED ADAMANT-2'-YLIDENE) 1,2-DIOXETANES TROPIX, INC. (US) 1992-08-12 EP disclosed
WO-1992004341-A1 CHEMILUMINESCENT 3-(SUBSTITUTED ADAMANT-2'-YLIDENE) 1,2-DIOXETANES TROPIX, INC. (US) 1992-03-19 WO disclosed