SCHEMBL5269262

SCHEMBL5269262

CC(C)Oc1ccc(-c2c(C(=O)O)[nH]c3ccc(Oc4ccc(Cl)c(Cl)c4)cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.51
MAP2 P11137 7/20 0.48
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
KMT2A Q03164 1/20 0.46
GPR35 Q9HC97 4/20 0.45
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
MAPT P10636 1/20 0.40
KMO O15229 1/20 0.40

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
SCHEMBL5273891 0.88 KDM4E (0.51) MAP2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5270273 0.88 MAP2 (0.55) MAP2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5373358 0.86 MAP2 (0.42) JAK2MAP2ALDH1A1HPGDKDM4E
SCHEMBL5273364 0.83 KDM4E (0.44) MAP2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5272029 0.81 GPR35 (0.48) MAP2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5274251 0.78 MAPT (0.45) MAP2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5343866 0.76 GPR35 (0.48) GPR35
SCHEMBL5210645 0.76 KDM4E (0.45) JAK2MAP2ALDH1A1HPGDKDM4E
SCHEMBL5334971 0.75 ALDH1A1 (0.61) MAP2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5270236 0.75 GPR17 (0.43) ALDH1A1HPGDKDM4EHSD17B10MEN1

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