SCHEMBL7640316

SCHEMBL7640316

CC(=O)C(CCCOc1ccc(F)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAOB P27338 3/20 0.45
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NR4A2 P43354 1/20 0.43
GPR34 Q9UPC5 1/20 0.42

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
SCHEMBL7640766 0.91 TDP1 (0.63) TDP1MEN1KMT2AMAOBMAPT
SCHEMBL7644182 0.87 TDP1 (0.58) TDP1MEN1KMT2AMAOBMAPT
SCHEMBL7640060 0.86 TDP1 (0.57) TDP1MEN1KMT2AMAOBMAPT
SCHEMBL7644533 0.86 TDP1 (0.57) TDP1MEN1KMT2AMAOBMAPT
SCHEMBL7639070 0.85 MEN1 (0.56) TDP1MEN1KMT2AMAOBMAPT
SCHEMBL7635747 0.83 MEN1 (0.68) TDP1MEN1KMT2AMAPTL3MBTL1
SCHEMBL7060186 0.82 PPARG (0.50) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7642347 0.82 KMT2A (0.50) TDP1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7634871 0.81 GAA (0.50) TDP1MEN1KMT2AMAPTL3MBTL1
SCHEMBL7640704 0.81 MAPT (0.65) TDP1MEN1KMT2AMAOBMAPT

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