SCHEMBL7768937

SCHEMBL7768937

O=C1CCCCCCC(=O)C(=O)C(=O)C(=O)C(=O)C(=O)C(=O)C1=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TRIM24 O15164 2/20 0.56
TRIM33 Q9UPN9 2/20 0.56
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
CYP2A6 P11509 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.32
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
FKBP5 Q13451 1/20 0.30
CRBN Q96SW2 1/20 0.30
PRKCI P41743 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL10897896 0.96 ALDH1A1 (0.60) ALDH1A1TRIM24TRIM33MAOAMAOB
SCHEMBL30286809 0.96 ALDH1A1 (0.60) ALDH1A1TRIM24TRIM33MAOAMAOB
SCHEMBL9001526 0.96 ALDH1A1 (0.60) ALDH1A1TRIM24TRIM33MAOAMAOB
SCHEMBL4618953 0.93 TRIM24 (0.57) ALDH1A1TRIM24TRIM33MAOAMAOB
SCHEMBL23723124 0.89 ALDH1A1 (0.60) ALDH1A1TRIM24TRIM33MAOAMAOB
SCHEMBL4620698 0.89 ALDH1A1 (0.60) ALDH1A1TRIM24TRIM33MAOAMAOB
SCHEMBL4619828 0.89 TRIM24 (0.44) ALDH1A1TRIM24TRIM33MAOAMAOB
SCHEMBL9246687 0.89 ALDH1A1 (0.60) ALDH1A1TRIM24TRIM33MAOAMAOB
SCHEMBL7952580 0.89 ALDH1A1 (0.60) ALDH1A1TRIM24TRIM33MAOAMAOB
SCHEMBL4620542 0.85 TRIM24 (0.57) ALDH1A1TRIM24TRIM33MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007610-B2 MACROCYCLIC MUSK MIXTURES GIVAUDAN NEDERLAND SERVICES BV (NL) 2014-09-10 EP disclosed
EP-1007610-B1 MACROCYCLIC MUSK MIXTURES QUEST INT (NL) 2001-07-25 EP disclosed
EP-1007610-A1 MACROCYCLIC MUSK MIXTURES QUEST INTERNATIONAL B.V. (NL) 2000-06-14 EP disclosed
WO-1998032820-A1 MACROCYCLIC MUSK MIXTURES QUEST INTERNATIONAL B.V. (NL) 1998-07-30 WO disclosed