SCHEMBL7644545

SCHEMBL7644545

COC(=O)C(=O)CCCCOc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.81
HDAC2 Q92769 8/20 0.81
HDAC3 O15379 6/20 0.81
HDAC4 P56524 6/20 0.81
HDAC7 Q8WUI4 6/20 0.81
HDAC10 Q969S8 6/20 0.81
HDAC11 Q96DB2 6/20 0.81
HDAC8 Q9BY41 6/20 0.81
HDAC6 Q9UBN7 6/20 0.81
HDAC9 Q9UKV0 6/20 0.81
HDAC5 Q9UQL6 6/20 0.81
KCNA3 P22001 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.52
PPARA Q07869 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL7640192 0.98 HDAC1 (0.83) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7636496 0.98 HDAC1 (0.83) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7634102 0.95 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7365673 0.90 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7365883 0.90 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7643124 0.85 HDAC3 (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7635967 0.84 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7637129 0.83 HDAC3 (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6335494 0.83 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7636063 0.83 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC4HDAC7

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