SCHEMBL7635303

SCHEMBL7635303

COC(=O)C(CCCc1cccc(Cl)c1)=NO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.51
PLAAT5 Q96KN8 2/20 0.51
PLAAT2 Q9NWW9 2/20 0.51
PLAAT4 Q9UL19 2/20 0.51
CTBP2 P56545 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL7635299 1.00 PLAAT3 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4CTBP2
SCHEMBL7056956 0.92 CTBP2 (0.52) PLAAT3PLAAT5PLAAT2PLAAT4CTBP2
SCHEMBL7056961 0.92 CTBP2 (0.52) PLAAT3PLAAT5PLAAT2PLAAT4CTBP2
SCHEMBL7638310 0.87 KYAT1 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4CTBP2
SCHEMBL7638311 0.87 KYAT1 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4CTBP2
SCHEMBL7634196 0.86 PLAAT3 (0.59) PLAAT3PLAAT5PLAAT2PLAAT4SMN1; SMN2
SCHEMBL7640205 0.86 CTBP2 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4CTBP2
SCHEMBL7640209 0.86 CTBP2 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4CTBP2
SCHEMBL7641816 0.85 CTBP2 (0.58) CTBP2HDAC1HDAC6TAAR1
SCHEMBL7644263 0.84 HDAC1 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4CTBP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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