SCHEMBL7635555

SCHEMBL7635555

CC(C)(C)c1ccc(OCCCCCC(=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.54
HDAC4 P56524 6/20 0.54
HDAC1 Q13547 6/20 0.54
HDAC7 Q8WUI4 6/20 0.54
HDAC2 Q92769 6/20 0.54
HDAC10 Q969S8 6/20 0.54
HDAC11 Q96DB2 6/20 0.54
HDAC8 Q9BY41 6/20 0.54
HDAC6 Q9UBN7 6/20 0.54
HDAC9 Q9UKV0 6/20 0.54
HDAC5 Q9UQL6 6/20 0.54
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MITF O75030 1/20 0.53
KMT2A Q03164 2/20 0.51
POLB P06746 2/20 0.51
CYP2C19 P33261 1/20 0.51
NR4A2 P43354 1/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 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
SCHEMBL7636447 0.87 HDAC1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7635583 0.87 HDAC1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20023068 0.86 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7638373 0.86 GAA (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7638376 0.86 GAA (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7634913 0.86 HDAC1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7636427 0.85 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20023059 0.84 DPP4 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7642755 0.84 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20023065 0.83 DPP4 (0.47) 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