SCHEMBL4068204

SCHEMBL4068204

CCCCOC(=O)Nc1ncc(-c2ccc(C#Cc3ccccc3OC)cc2)n1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR1H2 P55055 1/20 0.37
FFAR1 O14842 1/20 0.36
ACACB O00763 2/20 0.36
F2 P00734 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PAX8 Q06710 3/20 0.33
EGFR P00533 2/20 0.33
KDR P35968 2/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4063530 0.93 KDM4E (0.38) KDM4EHSD17B10NR1H2ACACBF2
SCHEMBL4231082 0.91 NR1H2 (0.41) NR1H2SMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL4235750 0.90 KDM4E (0.44) KDM4EHSD17B10F2ALOX15KMT2A
SCHEMBL4296852 0.89 FFAR1 (0.39) NR1H2FFAR1KMT2APAX8EGFR
SCHEMBL4231079 0.85 ALDH1A1 (0.38) KDM4EHSD17B10NR1H2SMN1; SMN2CYP1A2
SCHEMBL4241713 0.85 FGFR3 (0.38) KDM4EHSD17B10NR1H2SMN1; SMN2CYP1A2
SCHEMBL4057543 0.84 NR1H2 (0.36) KDM4ENR1H2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4237042 0.84 NR1H2 (0.38) KDM4ENR1H2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4238011 0.84 NR1H2 (0.37) NR1H2KMT2AALDH1A1TSHRGAA
SCHEMBL4243989 0.83 FFAR1 (0.36) NR1H2FFAR1GAAL3MBTL1MAPT

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