SCHEMBL7640205

SCHEMBL7640205

CC(C)OC(=O)/C(CCCc1cccc(Cl)c1)=N\O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.47
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC2A1 P11166 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL7640209 1.00 CTBP2 (0.47) CTBP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7058661 0.92 CTBP2 (0.49) CTBP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7058659 0.92 CTBP2 (0.49) CTBP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7635523 0.87 PLAAT3 (0.52) PLAAT3PLAAT5PLAAT2PLAAT4HPGD
SCHEMBL7635299 0.86 PLAAT3 (0.51) CTBP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7635303 0.86 PLAAT3 (0.51) CTBP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7642323 0.85 HDAC1 (0.47) CTBP2HPGDMAPTSMN1; SMN2HDAC3
SCHEMBL7644651 0.85 CTBP2 (0.53) CTBP2HDAC1HDAC6
SCHEMBL7638311 0.84 KYAT1 (0.54) CTBP2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7638310 0.84 KYAT1 (0.54) CTBP2PLAAT3PLAAT5PLAAT2PLAAT4

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