SCHEMBL4640428

SCHEMBL4640428

COc1ccc(-c2nc(OC(C)=O)co2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
TPH1 P17752 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
HTT P42858 2/20 0.43
GLA P06280 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 5/20 0.43
KDM4E B2RXH2 3/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MIF P14174 1/20 0.42
AMY1A P0DUB6 2/20 0.42
PDE4A P27815 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4639858 0.83 S1PR1 (0.47) MAPK1ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL17360640 0.80 HDAC1 (0.54) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL28034372 0.77 ALDH1A1 (0.56) MAPK1ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL28815027 0.76 HDAC1 (0.37) SMN1; SMN2NPC1RAB9A
SCHEMBL28787697 0.76 FFAR1 (0.46) ALDH1A1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL13701433 0.75 MAPK1 (0.44) MAPK1ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL19194454 0.75 MAPT (0.44) MAPK1ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL5592936 0.75 MAPK1 (0.55) MAPK1ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL27516569 0.75 LMNA (0.53) ALDH1A1MAPTLMNAL3MBTL1NPC1
SCHEMBL4278957 0.75 ALDH1A1 (0.60) MAPK1ALDH1A1HPGDMAPTSMN1; 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