SCHEMBL6003200

SCHEMBL6003200

CC(C)OC(O[C]=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MIF P14174 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.33
THRB P10828 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
SRC P12931 1/20 0.32
HTT P42858 1/20 0.32
HPGD P15428 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL3102669 0.81 TAAR1 (0.41) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL2980266 0.80 KMT2A (0.39) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL120227 0.80 KMT2A (0.39) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL7292294 0.76 L3MBTL1 (0.41) LMNAL3MBTL1KMT2AHTT
SCHEMBL16970750 0.75 HCAR2 (0.43) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL12261012 0.75 THRB (0.40) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL16970628 0.75 HCAR2 (0.43) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL96935 0.75 HCAR2 (0.43) ADRA2AADRA2CLMNAHIF1AKDM4E
SCHEMBL7644220 0.74 SLC6A4 (0.36) ADRA2AADRA2CLMNAL3MBTL1KMT2A
SCHEMBL8698025 0.74 LMNA (0.37) ADRA2AADRA2CLMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed