SCHEMBL7062295

SCHEMBL7062295

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.47
FFAR1 O14842 1/20 0.47
ALDH1A1 P00352 5/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.41
GPR52 Q9Y2T5 1/20 0.40
LMNA P02545 1/20 0.40
HCAR2 Q8TDS4 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
SCHEMBL7643042 0.85 ALDH1A1 (0.49) FFAR4FFAR1ALDH1A1TDP1L3MBTL1
SCHEMBL27957232 0.85 ALDH1A1 (0.53) FFAR4FFAR1ALDH1A1THRATHRB
SCHEMBL7061719 0.83 FFAR4 (0.43) FFAR4FFAR1ALDH1A1THRATHRB
SCHEMBL7061717 0.83 FFAR4 (0.43) FFAR4FFAR1ALDH1A1THRATHRB
SCHEMBL7060700 0.82 TDP1 (0.56) FFAR4FFAR1ALDH1A1TDP1L3MBTL1
SCHEMBL7060854 0.82 PTGER4 (0.49) FFAR4FFAR1ALDH1A1THRATHRB
SCHEMBL7061870 0.82 CYP4F2 (0.49) FFAR4FFAR1ALDH1A1KMT2ATSHR
SCHEMBL7060425 0.80 FFAR1 (0.49) FFAR1ALDH1A1TDP1KMT2A
SCHEMBL7061701 0.80 ABCB1 (0.50) ALDH1A1L3MBTL1KMT2A
SCHEMBL7060051 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2ATSHRHTT

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