SCHEMBL7640357

SCHEMBL7640357

CCOC(=O)/C(CCCOc1ccc(C)cc1Br)=N\O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.52
TDP1 Q9NUW8 4/20 0.52
MAPT P10636 3/20 0.52
HPGD P15428 3/20 0.52
KDM4E B2RXH2 8/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 1/20 0.44
NPY1R P25929 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
SCHEMBL7640367 1.00 L3MBTL1 (0.52) L3MBTL1TDP1MAPTHPGDKDM4E
SCHEMBL7638989 0.89 TDP1 (0.55) L3MBTL1TDP1MAPTHPGDKDM4E
SCHEMBL7638992 0.89 TDP1 (0.55) L3MBTL1TDP1MAPTHPGDKDM4E
SCHEMBL7641338 0.87 KDM4E (0.52) L3MBTL1TDP1MAPTHPGDKDM4E
SCHEMBL7641334 0.87 KDM4E (0.52) L3MBTL1TDP1MAPTHPGDKDM4E
SCHEMBL7642839 0.86 TDP1 (0.49) L3MBTL1TDP1MAPTHPGDKDM4E
SCHEMBL7642843 0.86 TDP1 (0.49) L3MBTL1TDP1MAPTHPGDKDM4E
SCHEMBL7636491 0.85 L3MBTL1 (0.57) L3MBTL1TDP1MAPTHPGDKDM4E
SCHEMBL7634879 0.84 APOBEC3A (0.46) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL7634883 0.84 APOBEC3A (0.46) TDP1KDM4EMEN1KMT2AALDH1A1

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