SCHEMBL7644182

SCHEMBL7644182

CC(=O)C(CCCCOc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
L3MBTL1 Q9Y468 6/20 0.53
MAPK1 P28482 3/20 0.53
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAOB P27338 1/20 0.44
MAPT P10636 3/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
KCNA3 P22001 1/20 0.43
TSHR P16473 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 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
SCHEMBL7640060 0.99 TDP1 (0.57) TDP1L3MBTL1MAPK1ALDH1A1MEN1
SCHEMBL7644533 0.99 TDP1 (0.57) TDP1L3MBTL1MAPK1ALDH1A1MEN1
SCHEMBL7640766 0.96 TDP1 (0.63) TDP1L3MBTL1MAPK1ALDH1A1MEN1
SCHEMBL7639070 0.92 MEN1 (0.56) TDP1L3MBTL1MAPK1ALDH1A1MEN1
SCHEMBL7641968 0.89 MAPK1 (0.58) TDP1L3MBTL1MAPK1ALDH1A1MEN1
SCHEMBL7634871 0.88 GAA (0.50) TDP1L3MBTL1MAPK1ALDH1A1MEN1
SCHEMBL7640316 0.87 TDP1 (0.53) TDP1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL7640704 0.87 MAPT (0.65) TDP1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL7638526 0.86 TDP1 (0.78) TDP1L3MBTL1MAPK1ALDH1A1MEN1
SCHEMBL11565405 0.85 TDP1 (0.76) TDP1L3MBTL1MAPK1ALDH1A1MEN1

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