SCHEMBL4780835

SCHEMBL4780835

CCOC(=O)c1c(C)[nH]c2ccc(O)c(-c3ccc(OC)cc3)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 3/20 0.55
GAA P10253 4/20 0.55
POLB P06746 2/20 0.55
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GLO1 Q04760 1/20 0.48
HTT P42858 2/20 0.47
MAPK10 P53779 1/20 0.47
GRM6 O15303 1/20 0.46
AR P10275 1/20 0.46

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
SCHEMBL4720481 0.75 GAA (0.71) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL5501345 0.74 POLB (0.42) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL5266671 0.74 POLB (0.41) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL30532593 0.74 SMN1; SMN2 (0.58) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL7832805 0.74 TSHR (0.62) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL5507785 0.74 ALOX5 (0.42) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11613235 0.73 GAA (0.51) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11613898 0.72 GAA (0.50) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11614683 0.72 GAA (0.50) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11616556 0.72 GAA (0.50) MAPTKMT2AMEN1ALDH1A1KDM4E

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-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed