SCHEMBL4639774

SCHEMBL4639774

COc1ccc(-c2nc(CC(=O)Cc3ncccc3C)co2)cc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ABCB1 P08183 2/20 0.37
ABCC1 P33527 1/20 0.36
ADORA2A P29274 3/20 0.35
ADORA1 P30542 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HCRTR1 O43613 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 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
SCHEMBL5592943 0.89 LMNA (0.34) GAAADORA2AADORA1KMT2A
SCHEMBL4639574 0.89 MAPT (0.37) ABCB1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL4639813 0.85 S1PR1 (0.43) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL4640544 0.85 PIK3CG (0.42) MGAMGAASIMGAM2ABCB1
SCHEMBL4639397 0.84 PDE4A (0.44)
SCHEMBL4641099 0.83 PDE4A (0.39) MAPTHPGDMAPK1HSD17B10
SCHEMBL4639469 0.83 LMNA (0.35) GAAADORA2AADORA1KMT2A
SCHEMBL4639593 0.83 LCLAT1 (0.34) GAAHCRTR1KMT2A
SCHEMBL4639690 0.81 MAPT (0.43) GAAABCB1ABCC1MAPTSMN1; SMN2
SCHEMBL4639667 0.80 S1PR1 (0.37) MAPTKDM4EALDH1A1HPGDMAPK1

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