SCHEMBL7060052

SCHEMBL7060052

CC(C)OC(=O)C(CCc1ccccc1[N+](=O)[O-])=NO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
PTPN1 P18031 1/20 0.38

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
SCHEMBL7061549 0.86 NPSR1 (0.48) POLBCYP2C19MEN1KMT2AMAOB
SCHEMBL7060846 0.85 POLB (0.47) POLBCYP2C19MEN1KMT2AMAOB
SCHEMBL7062422 0.84 ACHE (0.46) POLBMEN1KMT2AMAOBALDH1A1
SCHEMBL7059129 0.83 ALDH1A1 (0.38) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL7154251 0.83 MEN1 (0.39) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL7059131 0.83 ALDH1A1 (0.38) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL7154247 0.83 MEN1 (0.39) POLBCYP2C19MEN1KMT2AALDH1A1
SCHEMBL7056811 0.82 KMT2A (0.46) POLBCYP2C19MEN1KMT2AMAOB
SCHEMBL7060533 0.82 CTBP2 (0.49) MAOBALDH1A1TSHRSMN1; SMN2GAA
SCHEMBL7057128 0.81 MEN1 (0.42) POLBMEN1KMT2AALDH1A1TSHR

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