SCHEMBL4776998

SCHEMBL4776998

CCOC(=O)c1[nH]c2ccc(I)c(-c3ccc(OC(C)C)cc3)c2c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 6/20 0.43
HPGD P15428 5/20 0.43
CYP1A2 P05177 2/20 0.43
XBP1 P17861 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 5/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 2/20 0.38
MDM2 Q00987 1/20 0.38
GAA P10253 2/20 0.37
CSF1R P07333 1/20 0.37
ALOX5 P09917 1/20 0.36
GABRP O00591 1/20 0.36

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
SCHEMBL5272473 0.90 MAPT (0.46) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL4780471 0.88 MAPT (0.45) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5269908 0.87 ALDH1A1 (0.44) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5271872 0.83 ALDH1A1 (0.41) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5270207 0.82 CYP1A2 (0.43) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5573980 0.81 MAPT (0.40) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5266914 0.81 MAPT (0.41) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL4777292 0.80 MAPT (0.43) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5506460 0.80 MAPT (0.45) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5574023 0.79 MAPT (0.43) MAPTALDH1A1HPGDCYP1A2XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008009924-A2 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-01-24 WO disclosed
EP-1844013-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-17 EP disclosed
EP-1687298-A4 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES APOTEX INC (CA) 2007-10-17 EP disclosed
EP-1838669-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-03 EP disclosed
EP-1824823-A1 PROCESS FOR THE MANUFACTURE OF 3-HYDROXY-N-ALKYL-1-CYCLOALKYL-6-ALKYL-4-OXO-1,4-DIHYDROPYRIDINE-2-CARBOXAMIDE AND ITS RELATED ANALOGUES Apotex Inc. (CA) 2007-08-29 EP disclosed
EP-1687298-A1 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES Apotex Inc. (CA) 2006-08-09 EP disclosed
WO-2006077365-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed
WO-2006077364-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed
WO-2006053429-A1 PROCESS FOR THE MANUFACTURE OF 3-HYDROXY-N-ALKYL-1-CYCLOALKYL-6-ALKYL-4-OXO-1,4-DIHYDROPYRIDINE-2-CARBOXAMIDE AND ITS RELATED ANALOGUES APOTEX INC. (CA) 2006-05-26 WO disclosed
WO-2005049609-A1 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES APOTEX INC. (CA) 2005-06-02 WO disclosed