SCHEMBL4639472

SCHEMBL4639472

[CH2]c1coc(-c2ccc(OC)c(OC)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 4/20 0.54
HPGD P15428 4/20 0.54
SMN1; SMN2 Q16637 9/20 0.49
NPC1 O15118 8/20 0.49
KDM4E B2RXH2 8/20 0.49
RAB9A P51151 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 3/20 0.48
HSD17B10 Q99714 4/20 0.47
TSHR P16473 3/20 0.47
ALOX5 P09917 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PRNP P04156 1/20 0.47
ALPG P10696 1/20 0.47
PDE4A P27815 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL5592936 0.82 MAPK1 (0.55) ALDH1A1MAPK1HPGDSMN1; SMN2NPC1
SCHEMBL5592772 0.78 ALDH1A1 (0.51) ALDH1A1MAPK1HPGDSMN1; SMN2NPC1
SCHEMBL4277052 0.77 MAPK1 (0.50) ALDH1A1MAPK1HPGDSMN1; SMN2NPC1
SCHEMBL4271339 0.77 KDM4E (0.53) ALDH1A1MAPK1HPGDSMN1; SMN2NPC1
SCHEMBL4271190 0.75 ALDH1A1 (0.48) ALDH1A1MAPK1HPGDSMN1; SMN2NPC1
SCHEMBL4271199 0.75 MAPK1 (0.48) ALDH1A1MAPK1HPGDSMN1; SMN2NPC1
SCHEMBL4278843 0.75 MAPK1 (0.48) ALDH1A1MAPK1HPGDSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL28034372 0.75 ALDH1A1 (0.56) ALDH1A1MAPK1HPGDSMN1; SMN2NPC1
SCHEMBL4640428 0.74 MAPK1 (0.47) ALDH1A1MAPK1HPGDSMN1; SMN2NPC1
SCHEMBL4278957 0.73 ALDH1A1 (0.60) ALDH1A1MAPK1HPGDSMN1; SMN2NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954684-B1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2014-05-07 EP disclosed
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