SCHEMBL7061807

SCHEMBL7061807

COC(=O)C(=O)CCc1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
FFAR4 Q5NUL3 2/20 0.41
FFAR1 O14842 1/20 0.41
RIPK1 Q13546 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41

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
SCHEMBL12396191 0.88 ALDH1A1 (0.50) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL7061870 0.84 CYP4F2 (0.49) TAAR1ALDH1A1KMT2AMEN1FFAR4
SCHEMBL6757 0.83 TAAR1 (0.50) TAAR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL7642712 0.83 CA12 (0.47) TAAR1ALDH1A1KMT2AMEN1RIPK1
SCHEMBL7060221 0.83 TAAR1 (0.40) TAAR1ALDH1A1FFAR4FFAR1RIPK1
SCHEMBL7058990 0.81 TAAR1 (0.42) TAAR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL7058992 0.81 TAAR1 (0.42) TAAR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL7058696 0.81 NOTUM (0.47) TAAR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL7060616 0.80 MTNR1A (0.58) TAAR1LMNAKMT2ARAB9ATSHR
SCHEMBL6991164 0.79 GPR52 (0.42) TAAR1ALDH1A1LMNAKMT2AMEN1

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