SCHEMBL4639857

SCHEMBL4639857

COc1ccc(-c2nc(CC(=O)Cc3ccccc3C)co2)cc1OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR5 Q9H228 2/20 0.40
PTGS2 P35354 1/20 0.39
PIK3CG P48736 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.36
PDE4B Q07343 1/20 0.36
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
LMNA P02545 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
SCHEMBL4640424 0.92 KDM4E (0.39) S1PR1S1PR3S1PR5PTGS2KDM4E
SCHEMBL4639512 0.88 LMNA (0.38) S1PR1S1PR3S1PR5KDM4EHPGD
SCHEMBL4641121 0.88 KDM4E (0.42) S1PR1S1PR3KDM4EHSD17B10LMNA
SCHEMBL4639396 0.88 SMN1; SMN2 (0.44) S1PR1S1PR3KDM4EHPGDHSD17B10
SCHEMBL4640544 0.86 PIK3CG (0.42) PIK3CGKDM4EHPGDHSD17B10ABCB1
SCHEMBL5592984 0.86 LMNA (0.36) S1PR1S1PR3S1PR5KDM4EHPGD
SCHEMBL5592764 0.85 PARP1 (0.39) S1PR1S1PR3S1PR5KDM4EHSD17B10
SCHEMBL4639475 0.85 KDM4E (0.38) S1PR1S1PR3S1PR5KDM4EHPGD
SCHEMBL4639520 0.84 PARP1 (0.43) PTGS2PIK3CGKDM4EHPGDCYP2C19
SCHEMBL4640682 0.84 PDE4A (0.43) KDM4EHPGDHSD17B10PDE4BABCB1

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