SCHEMBL4243989

SCHEMBL4243989

CCCCCCC#Cc1ccc(-c2cnc(NC(=O)OCCCC)n2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MMP2 P08253 1/20 0.36
MMP12 P39900 1/20 0.36
NR1H2 P55055 1/20 0.35
CSNK2A2 P19784 3/20 0.34
CSNK2A1 P68400 3/20 0.34
SPHK1 Q9NYA1 1/20 0.33
SMPD1 P17405 1/20 0.33
GAA P10253 1/20 0.33
PTPN11 Q06124 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA3 P0DMS8 5/20 0.33
MAPT P10636 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL4237855 0.94 NR1H2 (0.35) NR1H2CSNK2A2CSNK2A1GAAPTPN11
SCHEMBL4298498 0.93 FFAR1 (0.39) FFAR1FFAR4MMP2MMP12NR1H2
SCHEMBL4237042 0.91 NR1H2 (0.38) NR1H2CSNK2A2CSNK2A1GAAPTPN11
SCHEMBL4231082 0.90 NR1H2 (0.41) NR1H2CSNK2A2CSNK2A1GAACNR2
SCHEMBL4057543 0.88 NR1H2 (0.36) NR1H2CSNK2A2CSNK2A1GAAL3MBTL1
SCHEMBL4238011 0.86 NR1H2 (0.37) NR1H2CSNK2A2CSNK2A1GAAL3MBTL1
SCHEMBL4294605 0.84 PTPN11 (0.38) NR1H2PTPN11
SCHEMBL4242529 0.84 GABRG2 (0.38) NR1H2CSNK2A2CSNK2A1GAAL3MBTL1
SCHEMBL4068204 0.83 KDM4E (0.39) FFAR1NR1H2GAAL3MBTL1MAPT
SCHEMBL4056602 0.82 FGFR3 (0.39) NR1H2GAAL3MBTL1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009123753-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-08 WO disclosed