SCHEMBL9044226

SCHEMBL9044226

COC(=O)C(=O)c1ccc(OCCCCCCOc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
RAB9A P51151 1/20 0.62
HDAC1 Q13547 4/20 0.59
HDAC2 Q92769 4/20 0.59
HDAC3 O15379 3/20 0.59
HDAC4 P56524 3/20 0.59
HDAC7 Q8WUI4 3/20 0.59
HDAC10 Q969S8 3/20 0.59
HDAC11 Q96DB2 3/20 0.59
HDAC8 Q9BY41 3/20 0.59
HDAC6 Q9UBN7 3/20 0.59
HDAC9 Q9UKV0 3/20 0.59
HDAC5 Q9UQL6 3/20 0.59
PKM P14618 1/20 0.56
GAA P10253 1/20 0.56
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
PARP10 Q53GL7 1/20 0.53
PLA2G4B P0C869 1/20 0.53

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
SCHEMBL9043707 1.00 MAPT (0.62) MAPTRAB9AHDAC1HDAC2HDAC3
SCHEMBL9042678 0.98 MAPT (0.64) MAPTRAB9AHDAC1HDAC2HDAC3
SCHEMBL9044525 0.95 MAPT (0.64) MAPTRAB9AHDAC1HDAC2HDAC3
SCHEMBL9044510 0.94 MAPT (0.71) MAPTRAB9AHDAC1HDAC2HDAC3
SCHEMBL9043656 0.89 MAPT (0.65) MAPTRAB9AHDAC1HDAC2HDAC3
SCHEMBL9041291 0.89 MAPT (0.65) MAPTRAB9APKML3MBTL1PARP10
SCHEMBL9040101 0.88 PLA2G4B (0.60) MAPTRAB9AHDAC1HDAC2HDAC3
SCHEMBL9042116 0.87 MAPT (0.57) MAPTRAB9AHDAC1HDAC2HDAC3
SCHEMBL9041763 0.87 MAPT (0.67) MAPTRAB9APKMGAATSHR
SCHEMBL9044252 0.87 FFAR1 (0.58) MAPTRAB9APLA2G4B

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