SCHEMBL7644263

SCHEMBL7644263

COC(=O)C(CCCc1ccccc1)=NO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.51
HDAC3 O15379 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
ADRA1A P35348 1/20 0.51
SLC6A3 Q01959 1/20 0.51
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47

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
SCHEMBL7640041 0.95 MAPT (0.51) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7636850 0.94 MAPT (0.54) HDAC1HDAC2PLAAT3PLAAT5PLAAT2
SCHEMBL7641725 0.94 MAPT (0.54) HDAC1HDAC2PLAAT3PLAAT5PLAAT2
SCHEMBL7060202 0.90 ALDH1A1 (0.50) HDAC1HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL8624512 0.90 ALDH1A1 (0.50) HDAC1HDAC2HDAC8HDAC6ALDH1A1
SCHEMBL7637041 0.85 ALOX5 (0.56) ALDH1A1RAB9AHPGDPLAAT3PLAAT5
SCHEMBL7642349 0.85 ALOX5 (0.51) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7635303 0.84 PLAAT3 (0.51) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7635299 0.84 PLAAT3 (0.51) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL7642323 0.84 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC8HDAC6

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