SCHEMBL7640336

SCHEMBL7640336

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.58
L3MBTL1 Q9Y468 5/20 0.47
MAPK1 P28482 3/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
FAAH O00519 2/20 0.40
RECQL P46063 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
SCHEMBL7640346 1.00 TDP1 (0.58) TDP1L3MBTL1MAPK1MAPTMEN1
SCHEMBL7641285 0.99 TDP1 (0.59) TDP1L3MBTL1MAPK1MAPTMEN1
SCHEMBL7643137 0.95 TDP1 (0.64) TDP1L3MBTL1MAPK1MAPTMEN1
SCHEMBL7634086 0.89 TDP1 (0.46) TDP1L3MBTL1MAPTGAARAB9A
SCHEMBL7643102 0.89 TDP1 (0.46) TDP1L3MBTL1MAPTGAARAB9A
SCHEMBL7638942 0.89 MEN1 (0.59) TDP1L3MBTL1MAPK1MAPTMEN1
SCHEMBL7642378 0.87 TDP1 (0.47) TDP1L3MBTL1MAPTMEN1KMT2A
SCHEMBL7636025 0.87 L3MBTL1 (0.53) TDP1L3MBTL1MAPK1MAPTMEN1
SCHEMBL7638988 0.86 TDP1 (0.44) TDP1L3MBTL1MAPTALDH1A1HDAC1
SCHEMBL7641867 0.86 TDP1 (0.44) TDP1L3MBTL1MAPTALDH1A1HDAC1

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