SCHEMBL5268810

SCHEMBL5268810

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
ALDH1A1 P00352 7/20 0.47
HPGD P15428 6/20 0.47
CYP1A2 P05177 2/20 0.47
XBP1 P17861 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 5/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALOX15 P16050 7/20 0.43
GAA P10253 4/20 0.43
ALOX5 P09917 1/20 0.43
HSD17B10 Q99714 4/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
MAPK10 P53779 1/20 0.42
MDM2 Q00987 2/20 0.41
MDM4 O15151 1/20 0.41

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
SCHEMBL5268590 0.91 ALDH1A1 (0.55) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5265090 0.85 MAPT (0.66) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5273322 0.85 GABRA1 (0.49) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5272585 0.83 MAPT (0.44) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5270537 0.82 ALDH1A1 (0.54) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5268087 0.80 ALDH1A1 (0.46) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5268786 0.80 ALDH1A1 (0.55) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5271355 0.79 ALDH1A1 (0.54) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL5264728 0.79 ALDH1A1 (0.57) MAPTALDH1A1HPGDCYP1A2XBP1
SCHEMBL4022950 0.79 ALDH1A1 (0.51) 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 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