SCHEMBL4639468

SCHEMBL4639468

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 1/20 0.38
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5592963 0.93 LMNA (0.35) KDM4ERAB9AHSD17B10NPC1ALDH1A1
SCHEMBL4641168 0.93 LMNA (0.35) KDM4ERAB9AHSD17B10NPC1ALDH1A1
SCHEMBL4640052 0.92 KDM4E (0.46) KDM4ERAB9AHSD17B10NPC1ALDH1A1
SCHEMBL4639629 0.92 PARP1 (0.44) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL4639865 0.86 KDM4E (0.41) KDM4EHSD17B10ALDH1A1LMNAHPGD
SCHEMBL4641207 0.86 KDM4E (0.43) KDM4ERAB9AHSD17B10NPC1ALDH1A1
SCHEMBL5592764 0.85 PARP1 (0.39) KDM4EHSD17B10ALDH1A1LMNAS1PR1
SCHEMBL4639554 0.85 PARP1 (0.41) KDM4EHSD17B10ALDH1A1LMNAS1PR1
SCHEMBL4639520 0.85 PARP1 (0.43) KDM4ERAB9AHSD17B10ALDH1A1HPGD
SCHEMBL5592918 0.84 LMNA (0.39) KDM4ERAB9AHSD17B10NPC1ALDH1A1

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
EP-1954684-A2 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION Otsuka Pharmaceutical Co., Ltd. (JP) 2008-08-13 EP disclosed
WO-2007058338-A9 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2007-11-01 WO disclosed
WO-2007058338-A2 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-05-24 WO disclosed