SCHEMBL5336428

SCHEMBL5336428

CCOC(=O)c1[nH]c2ccc(O)c(-c3ccc(OC(C)C)cc3)c2c1N(C(C)=O)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 6/20 0.34
HPGD P15428 5/20 0.34
KDM4E B2RXH2 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 2/20 0.33
XBP1 P17861 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 3/20 0.33
GAA P10253 2/20 0.33
TP53 P04637 2/20 0.32
POLB P06746 1/20 0.32
NEK1 Q96PY6 5/20 0.32
MEN1 O00255 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL5340346 0.85 MAPT (0.43) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5268051 0.83 MAPT (0.42) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5272473 0.78 MAPT (0.46) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5268671 0.76 KDM4E (0.52) MAPTALDH1A1HPGDKDM4ECYP1A2
SCHEMBL5274523 0.73 MAPT (0.42) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5266671 0.72 POLB (0.41) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5570201 0.70 MAPT (0.46) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5512949 0.70 MAPT (0.46) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5345272 0.70 MAPT (0.40) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL5268590 0.69 ALDH1A1 (0.55) MAPTALDH1A1HPGDKDM4ENPC1

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