SCHEMBL7639059

SCHEMBL7639059

COC(=O)C(=O)CCCOc1ccc(C)cc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.60
KDM4E B2RXH2 8/20 0.60
USP2 O75604 1/20 0.60
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 6/20 0.56
MAPT P10636 4/20 0.55
HPGD P15428 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPK1 P28482 1/20 0.52
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48

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
SCHEMBL7636491 0.88 L3MBTL1 (0.57) TDP1KDM4EUSP2ALDH1A1MEN1
SCHEMBL7640812 0.85 TDP1 (0.53) TDP1KDM4EUSP2ALDH1A1MEN1
SCHEMBL7638992 0.84 TDP1 (0.55) TDP1KDM4EUSP2ALDH1A1MEN1
SCHEMBL7638989 0.84 TDP1 (0.55) TDP1KDM4EUSP2ALDH1A1MEN1
SCHEMBL7643136 0.81 KDM4E (0.55) TDP1KDM4EUSP2ALDH1A1MEN1
SCHEMBL7640922 0.81 KDM4E (0.49) TDP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7636942 0.79 TSHR (0.64) TDP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL16834317 0.78 L3MBTL1 (0.75) TDP1KDM4EUSP2ALDH1A1MEN1
SCHEMBL15025339 0.76 CYP1A2 (0.66) TDP1KDM4EUSP2ALDH1A1MEN1
SCHEMBL14314645 0.76 L3MBTL1 (0.72) TDP1KDM4EUSP2ALDH1A1MEN1

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