SCHEMBL7638416

SCHEMBL7638416

COc1ccc(CCCC(=NO)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
ALOX5 P09917 2/20 0.53
PLAAT3 P53816 2/20 0.52
PLAAT5 Q96KN8 2/20 0.52
PLAAT2 Q9NWW9 2/20 0.52
PLAAT4 Q9UL19 2/20 0.52
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
RECQL P46063 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
CTBP2 P56545 1/20 0.49
FFAR1 O14842 1/20 0.47
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.45
CALM1 P0DP23 1/20 0.44
MEN1 O00255 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL7057254 0.93 NPC1 (0.55) ALDH1A1ALOX5PLAAT3PLAAT5PLAAT2
SCHEMBL7642801 0.90 HDAC1 (0.54) ALDH1A1ALOX5KMT2AL3MBTL1TDP1
SCHEMBL7637076 0.88 CTBP2 (0.55) ALDH1A1RAB9ACTBP2MAPT
SCHEMBL7634813 0.86 MAPT (0.54) ALDH1A1ALOX5L3MBTL1CTBP2MAPT
SCHEMBL7642711 0.85 ALOX5 (0.56) ALDH1A1ALOX5KMT2ACTBP2CALM1
SCHEMBL7634833 0.85 PLAAT3 (0.63) ALDH1A1ALOX5PLAAT3PLAAT5PLAAT2
SCHEMBL7641958 0.84 MAPT (0.57) ALDH1A1ALOX5MAPT
SCHEMBL7643133 0.84 MAPT (0.57) ALDH1A1ALOX5MAPT
SCHEMBL7637041 0.83 ALOX5 (0.56) ALDH1A1ALOX5PLAAT3PLAAT5PLAAT2
SCHEMBL31329294 0.82 ALDH1A1 (0.61) ALDH1A1ALOX5PLAAT3PLAAT5PLAAT2

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