SCHEMBL5268087

SCHEMBL5268087

CCOC(=O)c1[nH]c2cc(Oc3cccc(Cl)n3)ccc2c1-c1ccc(OC(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
MDM2 Q00987 3/20 0.41
ALOX15 P16050 13/20 0.41
MDM4 O15151 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5274062 0.88 L3MBTL1 (0.42) ALDH1A1HPGDMAPTL3MBTL1MEN1
SCHEMBL5268810 0.80 MAPT (0.52) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL5272585 0.80 MAPT (0.44) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL5268786 0.80 ALDH1A1 (0.55) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL5334971 0.79 ALDH1A1 (0.61) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL5265090 0.79 MAPT (0.66) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL5273322 0.78 GABRA1 (0.49) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL5268590 0.74 ALDH1A1 (0.55) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL5270537 0.73 ALDH1A1 (0.54) ALDH1A1CYP1A2HPGDXBP1CYP2C19
SCHEMBL5271355 0.73 ALDH1A1 (0.54) ALDH1A1CYP1A2HPGDXBP1CYP2C19

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-1844013-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-17 EP disclosed
WO-2006077364-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed