SCHEMBL7641968

SCHEMBL7641968

CC(=O)C(CCCCOc1cccc(C)c1)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.58
L3MBTL1 Q9Y468 4/20 0.58
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 4/20 0.50
HPGD P15428 1/20 0.49
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOB P27338 2/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
ALOX5 P09917 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
NR4A2 P43354 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
SCHEMBL7644182 0.89 TDP1 (0.58) MAPK1L3MBTL1KDM4ETDP1TSHR
SCHEMBL7644533 0.88 TDP1 (0.57) MAPK1L3MBTL1TDP1ALDH1A1MEN1
SCHEMBL7640060 0.88 TDP1 (0.57) MAPK1L3MBTL1TDP1ALDH1A1MEN1
SCHEMBL7639070 0.87 MEN1 (0.56) MAPK1L3MBTL1KDM4ETDP1HPGD
SCHEMBL7641705 0.87 L3MBTL1 (0.67) MAPK1L3MBTL1KDM4ETDP1TSHR
SCHEMBL7640766 0.85 TDP1 (0.63) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL7635513 0.84 L3MBTL1 (0.54) MAPK1L3MBTL1KDM4ETDP1HPGD
SCHEMBL7640387 0.83 TSHR (0.51) MAPK1L3MBTL1KDM4ETDP1TSHR
SCHEMBL7639387 0.82 L3MBTL1 (0.52) MAPK1L3MBTL1KDM4ETDP1HPGD
SCHEMBL7635785 0.81 MAPK1 (0.49) MAPK1L3MBTL1KDM4ETDP1HPGD

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