SCHEMBL9044693

SCHEMBL9044693

COC(=O)C(=O)c1ccc(OCCOc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.62
HDAC4 P56524 5/20 0.62
HDAC1 Q13547 5/20 0.62
HDAC7 Q8WUI4 5/20 0.62
HDAC2 Q92769 5/20 0.62
HDAC10 Q969S8 5/20 0.62
HDAC11 Q96DB2 5/20 0.62
HDAC8 Q9BY41 5/20 0.62
HDAC6 Q9UBN7 5/20 0.62
HDAC9 Q9UKV0 5/20 0.62
HDAC5 Q9UQL6 5/20 0.62
MAPT P10636 5/20 0.60
RAB9A P51151 1/20 0.60
PKM P14618 1/20 0.54
MMP3 P08254 1/20 0.54
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
PARP10 Q53GL7 1/20 0.51

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
SCHEMBL9044510 0.92 MAPT (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9041763 0.89 MAPT (0.67) MAPTRAB9APKMALDH1A1PARP10
SCHEMBL9041291 0.88 MAPT (0.65) MAPTRAB9APKMKMT2APARP10
SCHEMBL9043656 0.88 MAPT (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9042678 0.88 MAPT (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9044525 0.88 MAPT (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6191009 0.87 SMN1; SMN2 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9044226 0.86 MAPT (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9043707 0.86 MAPT (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9044042 0.84 PTPRC (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512352-B1 Substituted carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 1996-03-27 EP disclosed
US-5344843-A Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders HOFFMAN-LA ROCHE INC. (US) 1994-09-06 US disclosed
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 EP disclosed