SCHEMBL7643124

SCHEMBL7643124

COC(=O)C(=O)CCCCOc1ccc(C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.69
HDAC4 P56524 6/20 0.69
HDAC1 Q13547 6/20 0.69
HDAC7 Q8WUI4 6/20 0.69
HDAC2 Q92769 6/20 0.69
HDAC10 Q969S8 6/20 0.69
HDAC11 Q96DB2 6/20 0.69
HDAC8 Q9BY41 6/20 0.69
HDAC6 Q9UBN7 6/20 0.69
HDAC9 Q9UKV0 6/20 0.69
HDAC5 Q9UQL6 6/20 0.69
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 2/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
POLB P06746 1/20 0.48
KMT2A Q03164 3/20 0.48

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
SCHEMBL7635313 0.86 MEN1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7644545 0.85 HDAC1 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7640192 0.84 HDAC1 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7636496 0.84 HDAC1 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9034669 0.83 L3MBTL1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7641947 0.83 L3MBTL1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21260769 0.82 L3MBTL1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13612294 0.82 L3MBTL1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14163893 0.82 L3MBTL1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7637967 0.82 L3MBTL1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2

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