SCHEMBL7060065

SCHEMBL7060065

CC(=O)C(CCc1ccccc1Br)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
ELANE P08246 1/20 0.41
FFAR4 Q5NUL3 2/20 0.40
FFAR1 O14842 1/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CTSB P07858 1/20 0.38
CTSL P07711 1/20 0.38
MMP8 P22894 2/20 0.37
GPR52 Q9Y2T5 1/20 0.37

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
SCHEMBL7059676 0.87 ALDH1A1 (0.56) ALDH1A1ELANEKMT2ATSHRMAPK1
SCHEMBL7060354 0.85 ALDH1A1 (0.47) ALDH1A1ELANEKMT2ARAB9AMAPK1
SCHEMBL7061453 0.85 TDP1 (0.43) KMT2APOLBMAPTPKMRAB9A
SCHEMBL7061399 0.83 TAAR1 (0.42) ALDH1A1KMT2APOLBMAPTPKM
SCHEMBL7055381 0.83 ABCB1 (0.47) ALDH1A1KMT2ARAB9AL3MBTL1
SCHEMBL15026138 0.83 TAAR1 (0.50) ALDH1A1FFAR4FFAR1KMT2APOLB
SCHEMBL7060186 0.83 PPARG (0.50) ALDH1A1ELANEKMT2AMAPT
SCHEMBL7059747 0.82 KMT2A (0.47) ALDH1A1FFAR1KMT2ATDP1
SCHEMBL7059777 0.81 MAPT (0.38) ALDH1A1FFAR4FFAR1KMT2APOLB
SCHEMBL7062312 0.81 MAOB (0.45) ALDH1A1KMT2APOLBMAPTRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937703-B1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-05-21 EP disclosed
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