SCHEMBL5268565

SCHEMBL5268565

CC(C)(C)c1ccc(-c2ccc3[nH]c(C(=O)Cl)c(-c4ccc(OC5CCCC5)cc4)c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 6/20 0.41
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
NPY4R P50391 1/20 0.38
NPY5R Q15761 1/20 0.38
ACACB O00763 1/20 0.36
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
MDM4 O15151 1/20 0.35
MDM2 Q00987 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
APP P05067 1/20 0.34
FDPS P14324 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL5573999 0.80 HRH3 (0.35) LMNAMAPTNPY1RNPY2RNPY4R
SCHEMBL11937222 0.71 NPY1R (0.62) LMNAMAPTNPY1RNPY2RNPY4R
SCHEMBL4228938 0.71 PTGES (0.57) LMNAMAPTNPY1RNPY2RNPY4R
SCHEMBL5269231 0.70 ALDH1A1 (0.52) LMNAMAPTKDM4EMEN1ALDH1A1
SCHEMBL270820 0.69 NPY1R (0.60) LMNAMAPTNPY1RNPY2RNPY4R
SCHEMBL18210657 0.69 NPY1R (0.60) LMNAMAPTNPY1RNPY2RNPY4R
SCHEMBL13403331 0.69 NPY1R (0.51) LMNAMAPTNPY1RNPY2RNPY4R
SCHEMBL4022950 0.69 ALDH1A1 (0.51) MAP2LMNAMAPTKDM4EMEN1
SCHEMBL5299189 0.69 PTGES (0.52) MAP2MAPTKDM4EMEN1ALDH1A1
SCHEMBL5281847 0.68 KDM4E (0.48) MAP2MAPTKDM4EMEN1ALDH1A1

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
EP-1838669-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-03 EP disclosed
WO-2006077365-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed