SCHEMBL7060894

SCHEMBL7060894

COC(=O)C(=O)CCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.54
MAPT P10636 2/20 0.54
PTPN1 P18031 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 4/20 0.49
TSHR P16473 1/20 0.49
MAOB P27338 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP2C19 P33261 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 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
SCHEMBL9900416 0.91 NPSR1 (0.51) NPSR1MAPTPTPN1MEN1KMT2A
SCHEMBL18801901 0.86 LMNA (0.51) NPSR1MAPTPTPN1MEN1KMT2A
SCHEMBL7633450 0.86 MEN1 (0.57) NPSR1MAPTPTPN1MEN1KMT2A
SCHEMBL7062284 0.85 ACHE (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL12396191 0.85 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL7061549 0.84 NPSR1 (0.48) NPSR1MAPTPTPN1MEN1KMT2A
SCHEMBL7060846 0.84 POLB (0.47) PTPN1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7057183 0.84 ALDH1A1 (0.46) NPSR1MAPTPTPN1MEN1KMT2A
SCHEMBL28072452 0.82 MAPT (0.49) NPSR1MAPTPTPN1MEN1KMT2A
SCHEMBL6949395 0.82 PTPN1 (0.48) NPSR1MAPTPTPN1MEN1KMT2A

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