SCHEMBL7635785

SCHEMBL7635785

Cc1cccc(OCCCCC(/C=N\O)C(=O)OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.40
MCL1 Q07820 1/20 0.40
NR4A2 P43354 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 0.89 TDP1 (0.42) MAPK1KDM4EL3MBTL1SMN1; SMN2TDP1
SCHEMBL7642005 0.88 MEN1 (0.43) MAPK1KDM4EHPGDL3MBTL1MEN1
SCHEMBL7636025 0.88 L3MBTL1 (0.53) MAPK1KDM4EHPGDL3MBTL1MEN1
SCHEMBL7635833 0.88 ITGB3 (0.43) KDM4EL3MBTL1SMN1; SMN2TDP1
SCHEMBL7639872 0.88 ITGB3 (0.43) KDM4EL3MBTL1SMN1; SMN2TDP1
SCHEMBL7642777 0.86 SMN1; SMN2 (0.49) MAPK1KDM4EHPGDL3MBTL1MEN1
SCHEMBL7642341 0.85 TDP1 (0.46) MAPK1KDM4EL3MBTL1TDP1TSHR
SCHEMBL7640036 0.84 SMN1; SMN2 (0.47) MAPK1KDM4EHPGDL3MBTL1MEN1
SCHEMBL7642356 0.82 TDP1 (0.47) MAPK1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL7641285 0.81 TDP1 (0.59) MAPK1L3MBTL1MEN1KMT2ASMN1; SMN2

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