SCHEMBL7636044

SCHEMBL7636044

CCOC(=O)C(CCCOc1c(Br)cc(C)cc1Br)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
TDP1 Q9NUW8 6/20 0.48
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 5/20 0.44
MCL1 Q07820 1/20 0.44
THRA P10827 4/20 0.42
THRB P10828 4/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39

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
SCHEMBL7638344 0.89 KDM4E (0.46) MEN1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7637045 0.87 KDM4E (0.43) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL7641940 0.84 MEN1 (0.48) MEN1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7640872 0.83 L3MBTL1 (0.58) MEN1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL11563891 0.76 L3MBTL1 (0.45) MEN1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL10577197 0.74 TDP1 (0.46) MEN1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7638974 0.73 TDP1 (0.86) MEN1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7644212 0.73 KDM4E (0.47) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL7640989 0.73 TDP1 (0.55) MEN1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL11131657 0.73 ALDH1A1 (0.50) MEN1KMT2ATDP1MAPK1L3MBTL1

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