SCHEMBL6003113

SCHEMBL6003113

CCCCCON([C]=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
TSHR P16473 3/20 0.40
CYP3A4 P08684 2/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
PTPN1 P18031 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL6002122 0.98 TSHR (0.41) LTA4HTSHRCYP3A4TP53MAPK1
SCHEMBL8351569 0.98 TSHR (0.41) LTA4HTSHRCYP3A4TP53MAPK1
SCHEMBL6002410 0.95 LTA4H (0.41) LTA4HTSHRCYP3A4TP53MAPK1
SCHEMBL4634276 0.80 ALDH1A1 (0.38) TSHRTP53ALDH1A1LMNANPC1
SCHEMBL27361074 0.75 ALDH1A1 (0.47) LTA4HTSHRCYP3A4TP53MAPK1
SCHEMBL27616820 0.75 LTA4H (0.46) LTA4HTSHRCYP3A4TP53MAPK1
SCHEMBL28194680 0.75 ALDH1A1 (0.47) LTA4HTSHRCYP3A4TP53MAPK1
SCHEMBL28337807 0.75 LTA4H (0.46) LTA4HTSHRCYP3A4TP53MAPK1
SCHEMBL28751604 0.74 LTA4H (0.44) LTA4HTSHRCYP3A4TP53MAPK1
SCHEMBL6003116 0.73 LTA4H (0.41) LTA4HTSHRCYP3A4TP53MAPK1

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