SCHEMBL7643102

SCHEMBL7643102

COC(=O)C(/C=N\O)CCCCCCCCOc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
HDAC1 Q13547 5/20 0.45
HDAC2 Q92769 5/20 0.45
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
HPGD P15428 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41

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
SCHEMBL7634086 1.00 TDP1 (0.46) TDP1HDAC1HDAC2GAAL3MBTL1
SCHEMBL7642378 0.99 TDP1 (0.47) TDP1HDAC1HDAC2GAAL3MBTL1
SCHEMBL7640599 0.95 TDP1 (0.51) TDP1HDAC1HDAC2GAAL3MBTL1
SCHEMBL7640346 0.89 TDP1 (0.58) TDP1HDAC1HDAC2GAAL3MBTL1
SCHEMBL7640336 0.89 TDP1 (0.58) TDP1HDAC1HDAC2GAAL3MBTL1
SCHEMBL7641867 0.88 TDP1 (0.44) TDP1HDAC1HDAC2L3MBTL1MAPT
SCHEMBL7638988 0.88 TDP1 (0.44) TDP1HDAC1HDAC2L3MBTL1MAPT
SCHEMBL7637963 0.87 MEN1 (0.49) L3MBTL1MAPTHPGDMMP1MMP3
SCHEMBL7641285 0.87 TDP1 (0.59) TDP1GAAL3MBTL1MAPTRAB9A
SCHEMBL7640106 0.86 TDP1 (0.45) TDP1HDAC1HDAC2L3MBTL1MAPT

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