SCHEMBL5574038

SCHEMBL5574038

CCOP(=O)(OCC)c1[nH]c2ccc(Br)c(-c3ccc(OC(C)C)cc3)c2c1C

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PTPN5 P54829 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
MMP14 P50281 1/20 0.30
TBK1 Q9UHD2 1/20 0.30

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
SCHEMBL5570201 0.78 MAPT (0.46) MAPTPOLB
SCHEMBL5573521 0.76 GRIA1 (0.33) PTPN5
SCHEMBL5512949 0.74 MAPT (0.46) MAPTPOLB
SCHEMBL5571392 0.73 MAPT (0.43) MAPTPOLB
SCHEMBL5506460 0.72 MAPT (0.45) MAPTPOLBL3MBTL1
SCHEMBL5574018 0.72 MAPT (0.45) MAPTPOLBL3MBTL1
SCHEMBL4780471 0.72 MAPT (0.45) MAPTPOLB
SCHEMBL5501828 0.71 MAPT (0.43) MAPTPOLBL3MBTL1
SCHEMBL5573518 0.69 MAPT (0.42) MAPTPOLBL3MBTL1
SCHEMBL3001473 0.65 HPGD (0.43) MAPT

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-1841736-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077367-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed