SCHEMBL6992199

SCHEMBL6992199

CC(C)(C)OC(=O)NCCOc1noc2c(C(=O)O)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
SCN9A Q15858 1/20 0.42
IDO1 P14902 1/20 0.42
CYP1A2 P05177 1/20 0.40
BCHE P06276 1/20 0.39
CNR2 P34972 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
PDK2 Q15119 1/20 0.38
NQO2 P16083 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP3A43 Q9HB55 1/20 0.38
GABRA5 P31644 1/20 0.37
CKS1B P61024 1/20 0.37

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
SCHEMBL6993737 0.90 CA12 (0.44) CA12CA1CA2CA9SCN9A
SCHEMBL6990946 0.90 CA12 (0.42) CA12CA1CA2CA9SCN9A
SCHEMBL6988571 0.88 CA12 (0.43) CA12CA1CA2CA9SCN9A
SCHEMBL6986485 0.87 LMNA (0.44) CA12CA1CA2CA9SCN9A
SCHEMBL6994007 0.87 CA12 (0.45) CA12CA1CA2CA9SCN9A
SCHEMBL6992166 0.86 CA12 (0.42) CA12CA1CA2CA9SCN9A
SCHEMBL6991922 0.86 SCN9A (0.46) CA12CA1CA2CA9SCN9A
SCHEMBL6992223 0.85 SCN9A (0.43) CA12CA1CA2CA9SCN9A
SCHEMBL6987703 0.84 CA12 (0.40) CA12CA1CA2CA9SCN9A
SCHEMBL6988380 0.83 BCHE (0.43) CA12CA1CA2CA9SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP disclosed
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP disclosed