SCHEMBL7644520

SCHEMBL7644520

CC(=O)C(CCCCOc1ccccc1C)C(=O)OC(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.60
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
NR2F2 P24468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL7635568 0.87 TDP1 (0.63) TDP1L3MBTL1ALDH1A1KDM4EHTT
SCHEMBL7640311 0.87 TDP1 (0.80) TDP1L3MBTL1ALDH1A1KDM4EHTT
SCHEMBL7638045 0.85 TSHR (0.52) TDP1L3MBTL1ALDH1A1KDM4EHTT
SCHEMBL7637931 0.83 TDP1 (0.56) TDP1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL7635821 0.82 TDP1 (0.61) TDP1L3MBTL1ALDH1A1KDM4EHTT
SCHEMBL7640827 0.82 TDP1 (0.55) TDP1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL7643116 0.82 TDP1 (0.55) TDP1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL7641777 0.79 MEN1 (0.58) TDP1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL7640173 0.79 TDP1 (0.61) TDP1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL7637400 0.78 TDP1 (0.49) TDP1L3MBTL1ALDH1A1KDM4EHTT

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