SCHEMBL7062401

SCHEMBL7062401

O=C(OCc1ccccc1)C(CCc1ccccc1[N+](=O)[O-])=NO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
SIGMAR1 Q99720 3/20 0.40
MAOB P27338 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL7058767 0.87 CTSD (0.37) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL7055656 0.87 NPC1 (0.45) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL7058769 0.87 CTSD (0.37) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL7055655 0.87 NPC1 (0.45) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL7060051 0.86 ALDH1A1 (0.46) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL7062422 0.85 ACHE (0.46) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL7060327 0.83 MAPT (0.52) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL7058683 0.83 MAPT (0.52) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL7061549 0.82 NPSR1 (0.48) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL7061545 0.81 TDP1 (0.50) ALDH1A1KMT2AL3MBTL1LMNAMAPK1

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