SCHEMBL7638313

SCHEMBL7638313

CC(=O)C(CCCOc1ccc(C)cc1Br)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53
TDP1 Q9NUW8 7/20 0.49
L3MBTL1 Q9Y468 6/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL7641940 0.87 MEN1 (0.48) KDM4ENPY1RNPY2RTDP1L3MBTL1
SCHEMBL7640872 0.86 L3MBTL1 (0.58) KDM4ETDP1L3MBTL1MAPTHPGD
SCHEMBL7640989 0.84 TDP1 (0.55) KDM4ENPY1RNPY2RTDP1L3MBTL1
SCHEMBL7640387 0.83 TSHR (0.51) KDM4ETDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL7641228 0.82 TDP1 (0.50) KDM4ENPY1RNPY2RTDP1L3MBTL1
SCHEMBL7643136 0.79 KDM4E (0.55) KDM4ENPY1RNPY2RTDP1L3MBTL1
SCHEMBL7640766 0.79 TDP1 (0.63) TDP1L3MBTL1MAPTALDH1A1MEN1
SCHEMBL7635821 0.78 TDP1 (0.61) KDM4ETDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL7639070 0.78 MEN1 (0.56) KDM4ETDP1L3MBTL1MAPTHPGD
SCHEMBL7641968 0.78 MAPK1 (0.58) KDM4ETDP1L3MBTL1HPGDSMN1; 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