SCHEMBL7641940

SCHEMBL7641940

CC(=O)C(CCCOc1c(Br)cc(C)cc1Br)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 3/20 0.44
THRA P10827 5/20 0.43
THRB P10828 5/20 0.43
KDM4E B2RXH2 3/20 0.41
TACR1 P25103 1/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ELANE P08246 1/20 0.39
MAPK1 P28482 1/20 0.39
MCL1 Q07820 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
SCHEMBL7638313 0.87 KDM4E (0.53) MEN1KMT2ANPY1RNPY2RTDP1
SCHEMBL7636044 0.84 MEN1 (0.51) MEN1KMT2ANPY1RNPY2RTDP1
SCHEMBL7638344 0.82 KDM4E (0.46) MEN1KMT2ANPY1RNPY2RPOLB
SCHEMBL7640766 0.80 TDP1 (0.63) MEN1KMT2ATDP1ALDH1A1L3MBTL1
SCHEMBL7637045 0.80 KDM4E (0.43) MEN1KMT2ANPY1RNPY2RPOLB
SCHEMBL7636892 0.78 ALDH1A1 (0.49) MEN1KMT2APOLBTDP1ALDH1A1
SCHEMBL7641910 0.78 MEN1 (0.51) MEN1KMT2ANPY1RNPY2RPOLB
SCHEMBL7639070 0.78 MEN1 (0.56) MEN1KMT2ATDP1KDM4EALDH1A1
SCHEMBL7641968 0.77 MAPK1 (0.58) MEN1KMT2ATDP1KDM4EALDH1A1
SCHEMBL7644182 0.77 TDP1 (0.58) MEN1KMT2ATDP1KDM4EALDH1A1

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