SCHEMBL7061399

SCHEMBL7061399

COC(=O)C(CCc1ccccc1Br)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.38
RIPK1 Q13546 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
EPHX2 P34913 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
HPGD P15428 1/20 0.36
ANPEP P15144 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL12427788 0.92 TAAR1 (0.46) TAAR1KMT2APOLBMAPTPKM
SCHEMBL15026138 0.88 TAAR1 (0.50) TAAR1KMT2APOLBMAPTPKM
SCHEMBL7061453 0.87 TDP1 (0.43) TAAR1KMT2APOLBMAPTPKM
SCHEMBL7059777 0.86 MAPT (0.38) TAAR1KMT2APOLBMAPTPKM
SCHEMBL7060692 0.84 LMNA (0.42) TAAR1KMT2AMAPTMEN1ALDH1A1
SCHEMBL7060065 0.83 ALDH1A1 (0.46) KMT2APOLBMAPTPKMRAB9A
SCHEMBL7061430 0.82 MTNR1A (0.56) TAAR1KMT2AMEN1TSHRALDH1A1
SCHEMBL7061793 0.81 TSHR (0.49) KMT2AMAPTMEN1TSHRALDH1A1
SCHEMBL7060369 0.80 MTNR1A (0.48) KMT2AMEN1ALDH1A1MTNR1A
SCHEMBL8846321 0.80 POLB (0.45) TAAR1KMT2APOLBMAPTPKM

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