SCHEMBL4639660

SCHEMBL4639660

CCOc1cc(-c2nc(CC(=O)Cc3ccccc3OC(F)F)co2)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 16)

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 0.41
TSHR P16473 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
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
SCHEMBL4639925 0.96 KDM4E (0.41) KDM4EHSD17B10LMNAUSP2MAPT
SCHEMBL4641214 0.92 LMNA (0.39) KDM4EHSD17B10LMNAUSP2MAPT
SCHEMBL5592918 0.92 LMNA (0.39) KDM4EHSD17B10LMNAUSP2MAPT
SCHEMBL5592765 0.91 TSHR (0.42) KDM4EHSD17B10LMNAUSP2MAPT
SCHEMBL4639814 0.90 KDM4E (0.41) KDM4EHSD17B10LMNAUSP2MAPT
SCHEMBL4639512 0.90 LMNA (0.38) KDM4EHSD17B10LMNAUSP2MAPT
SCHEMBL4639709 0.89 LMNA (0.37) KDM4EHSD17B10LMNAUSP2MAPT
SCHEMBL4641365 0.89 LMNA (0.38) KDM4EHSD17B10LMNAUSP2MAPT
SCHEMBL4641121 0.89 KDM4E (0.42) KDM4EHSD17B10LMNAUSP2MAPT
SCHEMBL4639503 0.88 TSHR (0.39) KDM4EHSD17B10LMNAMAPTSMN1; SMN2

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