SCHEMBL6988458

SCHEMBL6988458

CC(C)(C)OC(=O)NCCOc1noc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
MGLL Q99685 1/20 0.51
SSTR4 P31391 1/20 0.49
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
BCHE P06276 2/20 0.48
CNR2 P34972 1/20 0.48
IDO1 P14902 1/20 0.45
SCN9A Q15858 1/20 0.45
PDK2 Q15119 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP3A43 Q9HB55 1/20 0.42
MAPT P10636 1/20 0.41
CKS1B P61024 1/20 0.40

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
SCHEMBL6992057 0.96 FAAH (0.53) FAAHMGLLSSTR4CA12CA1
SCHEMBL6988008 0.93 FAAH (0.55) FAAHMGLLSSTR4CA12CA1
SCHEMBL6990733 0.85 CYP1A1 (0.45) CA12CA1CA2CA9BCHE
SCHEMBL6989190 0.85 NQO2 (0.48) CA12CA1CA2CA9BCHE
SCHEMBL6993977 0.85 CA12 (0.46) CA12CA1CA2CA9BCHE
SCHEMBL6989587 0.84 FAAH (0.49) FAAHCA12CA1CA2CA9
SCHEMBL6992047 0.84 CA12 (0.47) CA12CA1CA2CA9BCHE
SCHEMBL6987623 0.84 CA12 (0.45) CA12CA1CA2CA9BCHE
SCHEMBL6991751 0.84 CA12 (0.50) CA12CA1CA2CA9BCHE
SCHEMBL6990907 0.84 CA12 (0.45) CA12CA1CA2CA9BCHE

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