SCHEMBL4640577

SCHEMBL4640577

COc1ccccc1CC(=O)Cc1coc(-c2ccc(OC)c(OCC(F)(F)F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
KMT2A Q03164 5/20 0.39
HSD17B10 Q99714 4/20 0.39
MEN1 O00255 4/20 0.39
USP2 O75604 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPY2R P49146 1/20 0.39
LMNA P02545 4/20 0.39
THRB P10828 2/20 0.38
S1PR1 P21453 1/20 0.38
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CSNK1D P48730 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
SCHEMBL4639873 0.95 LMNA (0.41) KDM4EKMT2AHSD17B10MEN1USP2
SCHEMBL4641238 0.95 LMNA (0.41) KDM4EKMT2AHSD17B10MEN1USP2
SCHEMBL4641231 0.93 LMNA (0.36) KDM4EKMT2AHSD17B10MEN1USP2
SCHEMBL5592710 0.86 S1PR1 (0.41) KDM4EKMT2AHSD17B10MEN1USP2
SCHEMBL4640423 0.84 PDE4A (0.43) KDM4EKMT2AHSD17B10MEN1USP2
SCHEMBL4639690 0.83 MAPT (0.43) KDM4EKMT2AHSD17B10MEN1USP2
SCHEMBL4639629 0.83 PARP1 (0.44) KDM4EKMT2AHSD17B10MEN1USP2
SCHEMBL4639456 0.83 PDE4A (0.40) MAPTLMNATHRBHPGD
SCHEMBL4639660 0.83 KDM4E (0.41) KDM4EKMT2AHSD17B10MEN1USP2
SCHEMBL4639422 0.83 SMN1; SMN2 (0.42) KDM4EHSD17B10USP2MAPTLMNA

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