SCHEMBL7554944

SCHEMBL7554944

O=C(O)CCCCCCCOc1cc[c]cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.57
ALB P02768 1/20 0.54
PLA2G4B P0C869 4/20 0.51
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
FFAR1 O14842 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
SERPINE1 P05121 1/20 0.46

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
SCHEMBL27734552 0.98 PPARA (0.58) PPARAALBPLA2G4BHDAC1HDAC2
SCHEMBL5803799 0.93 PPARA (0.51) PPARAALBPLA2G4BFFAR1L3MBTL1
SCHEMBL826073 0.87 L3MBTL1 (0.61) PPARAPLA2G4BFFAR1L3MBTL1
SCHEMBL29141429 0.87 PPARA (0.71) PPARAALBPLA2G4BHDAC1HDAC2
SCHEMBL21073528 0.87 PPARA (0.71) PPARAALBPLA2G4BHDAC1HDAC2
SCHEMBL31448424 0.87 PPARA (0.71) PPARAALBPLA2G4BHDAC1HDAC2
SCHEMBL7559437 0.86 HDAC1 (0.46) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL31448470 0.85 PPARA (0.73) PPARAALBPLA2G4BHDAC1HDAC2
SCHEMBL25228768 0.83 PPARA (0.72) PPARAALBHDAC1HDAC2FFAR1
SCHEMBL503552 0.83 PPARA (0.72) PPARAALBHDAC1HDAC2FFAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219631-A1 ANTIANDROGEN AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-03 EP disclosed