SCHEMBL6002987

SCHEMBL6002987

CCCCCOc1cc2ccccc2cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.56
MCHR1 Q99705 3/20 0.49
LTA4H P09960 1/20 0.47
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ESR1 P03372 2/20 0.44
CYP2C9 P11712 2/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 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
SCHEMBL16351328 0.95 TLR8 (0.55) TLR8MCHR1LTA4HGAATDP1
SCHEMBL31290761 0.89 TLR8 (0.63) TLR8MCHR1LTA4HPPARGPPARA
Ammonia Solution, Strong SCHEMBL27937949 0.87 TLR8 (0.53) TLR8MCHR1GAATDP1L3MBTL1
SCHEMBL346563 0.87 TLR8 (0.64) TLR8MCHR1LTA4HPPARGPPARA
SCHEMBL4250155 0.84 TLR8 (0.60) TLR8MCHR1LTA4HPPARGPPARA
SCHEMBL2477207 0.84 TLR8 (0.60) TLR8MCHR1LTA4HPPARGPPARA
SCHEMBL6473617 0.84 TLR8 (0.60) TLR8MCHR1LTA4HPPARGPPARA
SCHEMBL30844101 0.84 TLR8 (0.60) TLR8MCHR1LTA4HPPARGPPARA
SCHEMBL1237415 0.84 TLR8 (0.60) TLR8MCHR1LTA4HPPARGPPARA
SCHEMBL17912831 0.83 NR5A1 (0.47) TLR8MCHR1LTA4HESR1TSHR

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