SCHEMBL6000936

SCHEMBL6000936

CCCCCCOc1ccccc1O[C]=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
NR1I2 O75469 1/20 0.54
CHRM2 P08172 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADRA2A P08913 1/20 0.54
OPRK1 P41145 1/20 0.54
HTR2B P41595 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KMT2A Q03164 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PLA2G4B P0C869 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.44
CYSLTR2 Q9NS75 2/20 0.44
CYSLTR1 Q9Y271 2/20 0.44

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
SCHEMBL6933906 1.00 LMNA (0.54) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL165707 1.00 LMNA (0.54) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL6003226 0.98 MAPT (0.51) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL195490 0.93 CYP1A2 (0.55) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL6003219 0.87 MAPT (0.46) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL1964196 0.85 LMNA (0.62) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL1778134 0.85 LMNA (0.62) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL2859001 0.85 LMNA (0.62) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL9394792 0.85 LMNA (0.62) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL9387360 0.85 LMNA (0.62) LMNAMAPTMEN1NR1I2CHRM2

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