SCHEMBL6315669

SCHEMBL6315669

C=C(C)COc1cc(C)c(NC=O)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL6315679 0.79 MAPT (0.37) NPSR1MAPTMAPK1ADRA2AADRA2C
SCHEMBL8712749 0.73 NPSR1 (0.39) NPSR1MAPTALDH1A1KDM4EHPGD
SCHEMBL6316378 0.71 ALDH1A1 (0.47) NPSR1MAPTMAPK1ALDH1A1KDM4E
SCHEMBL8714296 0.69 KDM4E (0.35) NPSR1MAPTALDH1A1KDM4EHPGD
SCHEMBL6767205 0.69 ELANE (0.41) MAPTPTGDR2ALDH1A1KDM4EHPGD
SCHEMBL8716048 0.68 HPGD (0.48) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL6316455 0.68 HIF1A (0.38) NPSR1MAPTMAPK1ALDH1A1HPGD
SCHEMBL8713940 0.67 RAB9A (0.40) NPSR1MAPTALDH1A1KDM4EHPGD
SCHEMBL20711472 0.63 ALDH1A1 (0.40) NPSR1MAPTMAPK1ALDH1A1KDM4E
SCHEMBL18562142 0.63 PTGDR2 (0.41) NPSR1MAPTMAPK1PTGDR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872718-B1 Tricyclic dihydrobenzofuran derivatives, process for the preparation thereof and agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-29 US disclosed
EP-1211253-B1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-10-13 EP disclosed
EP-1211253-A1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP disclosed