SCHEMBL7056969

SCHEMBL7056969

CCOC(=O)C(=O)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.54
KCNH2 Q12809 1/20 0.54
TSHR P16473 1/20 0.51
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 3/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
AR P10275 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MEN1 O00255 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
SCHEMBL8240076 0.87 KCNJ1 (0.51) KCNJ1KCNH2TSHRALDH1A1KMT2A
SCHEMBL13991528 0.86 CYP4F2 (0.64) KCNJ1KCNH2TSHRALDH1A1KMT2A
SCHEMBL7059671 0.85 CYP1A2 (0.51) KCNJ1KCNH2TSHRALDH1A1KMT2A
SCHEMBL7061199 0.84 TSHR (0.54) KCNJ1KCNH2TSHRALDH1A1KMT2A
SCHEMBL161867 0.84 LMNA (0.56) KCNJ1KCNH2ALDH1A1KMT2ALMNA
SCHEMBL9726057 0.82 CYP4F2 (0.53) ALDH1A1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL11265794 0.82 TSHR (0.51) KCNJ1KCNH2TSHRALDH1A1LMNA
SCHEMBL7058146 0.81 ALDH1A1 (0.57) TSHRALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL7058021 0.81 ALDH1A1 (0.57) TSHRALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL6585903 0.81 LMNA (0.54) KCNJ1KCNH2TSHRALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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