SCHEMBL6002984

SCHEMBL6002984

[CH2]c1cc2ccccc2cc1OCCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.55
PPARG P37231 6/20 0.46
PPARA Q07869 6/20 0.46
LTA4H P09960 1/20 0.46
MCHR1 Q99705 2/20 0.44
GPBAR1 Q8TDU6 1/20 0.43
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
MAPT P10636 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL31290761 0.87 TLR8 (0.63) TLR8PPARGPPARALTA4HMCHR1
SCHEMBL346563 0.85 TLR8 (0.64) TLR8PPARGPPARALTA4HMCHR1
SCHEMBL6473617 0.82 TLR8 (0.60) TLR8PPARGPPARALTA4HMCHR1
SCHEMBL4250155 0.82 TLR8 (0.60) TLR8PPARGPPARALTA4HMCHR1
SCHEMBL30844101 0.82 TLR8 (0.60) TLR8PPARGPPARALTA4HMCHR1
SCHEMBL2477207 0.82 TLR8 (0.60) TLR8PPARGPPARALTA4HMCHR1
SCHEMBL1237415 0.82 TLR8 (0.60) TLR8PPARGPPARALTA4HMCHR1
SCHEMBL5278992 0.81 TLR8 (0.42) TLR8MEN1NR1I2LMNACHRM2
SCHEMBL27768841 0.81 TLR8 (0.62) TLR8PPARGPPARALTA4HMCHR1
SCHEMBL6002987 0.81 TLR8 (0.56) TLR8PPARGPPARALTA4HMCHR1

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