SCHEMBL4640544

SCHEMBL4640544

COc1ccc(-c2nc(CC(=O)Cc3ccccc3C)co2)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.42
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.39
HCRTR1 O43613 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGES O14684 1/20 0.38

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
SCHEMBL4639690 0.92 MAPT (0.43) GAAKDM4EALDH1A1MAPTMEN1
SCHEMBL4639396 0.87 SMN1; SMN2 (0.44) KDM4EALDH1A1MAPTHSD17B10NPC1
SCHEMBL4639483 0.87 KDM4E (0.44) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4639475 0.86 KDM4E (0.38) GAAKDM4EALDH1A1MAPTMEN1
SCHEMBL4639857 0.86 S1PR1 (0.40) PIK3CGKDM4EHSD17B10HPGDABCB1
SCHEMBL4639429 0.85 KDM4E (0.37) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4639774 0.85 MGAM (0.38) GAAMGAMSIMGAM2KDM4E
SCHEMBL4639520 0.84 PARP1 (0.43) PIK3CGGAAKDM4EALDH1A1MAPT
SCHEMBL4271854 0.83 PIK3CG (0.45) PIK3CGGAAMGAMSIMGAM2
SCHEMBL4640557 0.83 PDE4A (0.44) MAPTLMNA

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