SCHEMBL7056961

SCHEMBL7056961

COC(=O)C(CCc1cccc(Cl)c1)=NO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.52
PLAAT3 P53816 2/20 0.48
PLAAT5 Q96KN8 2/20 0.48
PLAAT2 Q9NWW9 2/20 0.48
PLAAT4 Q9UL19 2/20 0.48
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
TAAR1 Q96RJ0 4/20 0.46
FFAR1 O14842 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
SCHEMBL7056956 1.00 CTBP2 (0.52) CTBP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7635303 0.92 PLAAT3 (0.51) CTBP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7635299 0.92 PLAAT3 (0.51) CTBP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7060681 0.86 CTBP2 (0.50) CTBP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7060683 0.86 CTBP2 (0.50) CTBP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7058659 0.85 CTBP2 (0.49) CTBP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7058661 0.85 CTBP2 (0.49) CTBP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7060472 0.84 CTBP2 (0.49) CTBP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7060470 0.84 CTBP2 (0.49) CTBP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7060197 0.84 PLAAT3 (0.58) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1

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