SCHEMBL4035943

SCHEMBL4035943

CCC(C)OC(=O)C(Cc1c(Br)cccc1Br)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
MMP8 P22894 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
GABRA6 Q16445 1/20 0.33
POLB P06746 2/20 0.32
GPR17 Q13304 1/20 0.32
PIN1 Q13526 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL2386216 0.84 MAPT (0.46) MAPTMMP8POLBPIN1PPARG
SCHEMBL14147393 0.82 MMP8 (0.50) MMP8L3MBTL1PIN1MEN1KMT2A
SCHEMBL2672684 0.80 HCAR2 (0.42) MAPTMMP8POLBKDM4EPPARG
SCHEMBL335398 0.79 MAPT (0.51) MAPTMMP8PPARGPPARANPC1
SCHEMBL1294074 0.79 MAPT (0.43) MAPTMMP8L3MBTL1PPARA
SCHEMBL2828887 0.78 LDHA (0.44) MAPTMMP8PPARGPPARAMEN1
SCHEMBL3714556 0.78 MAPT (0.40) MAPTPOLBKDM4EPPARGPPARA
SCHEMBL4035939 0.75 MMP8 (0.49) MMP8L3MBTL1PIN1MEN1KMT2A
SCHEMBL16569848 0.75 PKM (0.38) MAPTL3MBTL1PPARGPPARAEPHX2
SCHEMBL7387704 0.74 CTNNB1 (0.55) MAPTMMP8L3MBTL1KDM4EPPARG

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-2034998-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-03-18 EP disclosed
WO-2008079427-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 WO disclosed