SCHEMBL4639629

SCHEMBL4639629

C=CCOc1ccccc1CC(=O)Cc1coc(-c2ccc(OC)c(OCC=C)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
PDE4B Q07343 1/20 0.38
KDM4E B2RXH2 4/20 0.37
MAPT P10636 4/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
NPY2R P49146 1/20 0.37
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4639865 0.94 KDM4E (0.41) PARP1PDE4BKDM4EMAPTKMT2A
SCHEMBL5592764 0.93 PARP1 (0.39) PARP1KDM4EMAPTKMT2AUSP2
SCHEMBL4639554 0.93 PARP1 (0.41) PARP1PDE4BKDM4EMAPTKMT2A
SCHEMBL4639520 0.93 PARP1 (0.43) PARP1PDE4BKDM4EMAPTKMT2A
SCHEMBL4639468 0.92 KDM4E (0.40) KDM4EMAPTKMT2AALDH1A1HSD17B10
SCHEMBL4641257 0.88 FPR2 (0.37) PDE4BKDM4ENPSR1
SCHEMBL4639772 0.87 DCK (0.37) PARP1KDM4EMAPTKMT2AUSP2
SCHEMBL4641168 0.86 LMNA (0.35) KDM4EMAPTKMT2AUSP2ALDH1A1
SCHEMBL5592963 0.85 LMNA (0.35) KDM4EMAPTKMT2AUSP2ALDH1A1
SCHEMBL4639330 0.85 KDM4E (0.35) PARP1KDM4EMAPTKMT2AUSP2

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-1954684-A2 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION Otsuka Pharmaceutical Co., Ltd. (JP) 2008-08-13 EP disclosed
WO-2007058338-A2 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-05-24 WO disclosed