SCHEMBL7642005

SCHEMBL7642005

Cc1ccc(OCCCCC(/C=N\O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CASP3 P42574 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL7637067 0.92 TDP1 (0.42) L3MBTL1NPC1ALDH1A1RAB9ATDP1
SCHEMBL7635833 0.91 ITGB3 (0.43) L3MBTL1NPC1ALDH1A1RAB9ATDP1
SCHEMBL7639872 0.91 ITGB3 (0.43) L3MBTL1NPC1ALDH1A1RAB9ATDP1
SCHEMBL7642341 0.88 TDP1 (0.46) L3MBTL1NPC1ALDH1A1RAB9ATDP1
SCHEMBL7635785 0.88 MAPK1 (0.49) MEN1KMT2AL3MBTL1TDP1SMN1; SMN2
SCHEMBL7638942 0.86 MEN1 (0.59) MEN1KMT2AL3MBTL1ALDH1A1TDP1
SCHEMBL7644665 0.85 MAPT (0.50) MEN1KMT2AL3MBTL1NPC1ALDH1A1
SCHEMBL7642356 0.84 TDP1 (0.47) MEN1KMT2AL3MBTL1NPC1ALDH1A1
SCHEMBL7637963 0.83 MEN1 (0.49) MEN1KMT2AL3MBTL1NPC1ALDH1A1
SCHEMBL7641285 0.83 TDP1 (0.59) MEN1KMT2AL3MBTL1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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