SCHEMBL4639814

SCHEMBL4639814

CCOc1cc(-c2nc(CC(=O)Cc3ccccc3OCC(F)F)co2)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
POLB P06746 2/20 0.37
CFTR P13569 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5592687 0.93 FPR2 (0.37) KDM4EHSD17B10LMNAUSP2MAPT
SCHEMBL4641012 0.91 TSHR (0.41) KDM4EHSD17B10LMNAUSP2MAPT
SCHEMBL5592984 0.91 LMNA (0.36) KDM4EHSD17B10LMNAUSP2MAPT
SCHEMBL4639660 0.90 KDM4E (0.41) KDM4EHSD17B10LMNAUSP2MAPT
SCHEMBL4639925 0.90 KDM4E (0.41) KDM4EHSD17B10LMNAUSP2MAPT
SCHEMBL4639422 0.89 SMN1; SMN2 (0.42) KDM4EHSD17B10LMNAUSP2MAPT
SCHEMBL4640052 0.88 KDM4E (0.46) KDM4EHSD17B10LMNAS1PR1S1PR3
SCHEMBL4639873 0.88 LMNA (0.41) KDM4EHSD17B10LMNAUSP2MAPT
SCHEMBL4641238 0.88 LMNA (0.41) KDM4EHSD17B10LMNAUSP2MAPT
SCHEMBL4641121 0.88 KDM4E (0.42) KDM4EHSD17B10LMNAUSP2MAPT

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