SCHEMBL7060197

SCHEMBL7060197

COC(=O)C(=O)CCc1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.58
PLAAT5 Q96KN8 2/20 0.58
PLAAT2 Q9NWW9 2/20 0.58
PLAAT4 Q9UL19 2/20 0.58
TAAR1 Q96RJ0 4/20 0.50
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.50
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 2/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
CNR1 P21554 1/20 0.46

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
SCHEMBL7634196 0.92 PLAAT3 (0.59) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1
SCHEMBL7059318 0.85 PLAAT3 (0.52) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL9545043 0.84 KMT2A (0.54) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1
SCHEMBL7640165 0.84 CTBP2 (0.51) TAAR1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL7058669 0.84 PLAAT3 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1
SCHEMBL7056956 0.84 CTBP2 (0.52) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1
SCHEMBL7056961 0.84 CTBP2 (0.52) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1
SCHEMBL6171739 0.83 FFAR4 (0.49) TAAR1ALDH1A1KMT2AFFAR4MEN1
SCHEMBL27522074 0.81 LOXL2 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1
SCHEMBL7060138 0.81 PLAAT3 (0.58) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1

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