SCHEMBL7643116

SCHEMBL7643116

CC(=O)C(CCCCCCCCOc1ccccc1)C(=O)OC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 4/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 1/20 0.43
KCNA3 P22001 1/20 0.43
RARB P10826 1/20 0.43
LMNA P02545 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41

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
SCHEMBL7640827 1.00 TDP1 (0.55) TDP1L3MBTL1MAPK1HPGDHDAC1
SCHEMBL7637931 0.99 TDP1 (0.56) TDP1L3MBTL1MAPK1HPGDHDAC1
SCHEMBL7640173 0.94 TDP1 (0.61) TDP1L3MBTL1MAPK1HPGDMAPT
SCHEMBL7641777 0.86 MEN1 (0.58) TDP1L3MBTL1MAPK1HPGDMAPT
SCHEMBL7636485 0.86 TDP1 (0.57) TDP1L3MBTL1MAPK1HPGDHDAC1
SCHEMBL7636953 0.86 TDP1 (0.57) TDP1L3MBTL1MAPK1HPGDHDAC1
SCHEMBL11565405 0.85 TDP1 (0.76) TDP1L3MBTL1MAPK1HDAC1HDAC2
SCHEMBL7636957 0.85 TDP1 (0.76) TDP1L3MBTL1MAPK1HDAC1HDAC2
SCHEMBL7644500 0.85 TDP1 (0.76) TDP1L3MBTL1MAPK1HDAC1HDAC2
SCHEMBL7635594 0.85 MMP1 (0.45) TDP1L3MBTL1MAPTALDH1A1RARB

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