SCHEMBL7060048

SCHEMBL7060048

CC(C)OC(=O)C(/C=N\O)CCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAOB P27338 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7061548 0.88 ALDH1A1 (0.48) POLBCYP2C19MEN1KMT2AMAOB
SCHEMBL7062420 0.87 L3MBTL1 (0.46) POLBCYP2C19MEN1KMT2AMAOB
SCHEMBL7056809 0.85 KMT2A (0.41) POLBCYP2C19MEN1KMT2AMAOB
SCHEMBL7060532 0.83 CTBP2 (0.37) MEN1KMT2AMAOBALDH1A1TSHR
SCHEMBL7062399 0.83 KMT2A (0.42) POLBCYP2C19MEN1KMT2AMAOB
SCHEMBL7062576 0.82 HTR2A (0.42) CYP2C19MEN1KMT2AALDH1A1TSHR
SCHEMBL7057126 0.82 MAPT (0.35) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL7059826 0.82 NCEH1 (0.39) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL7061687 0.81 TSHR (0.45) CYP2C19MEN1KMT2AALDH1A1HPGD
SCHEMBL7056450 0.81 MTNR1A (0.42) ALDH1A1HPGDTSHRSMN1; SMN2

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