SCHEMBL6992057

SCHEMBL6992057

CC(C)(C)OC(=O)NCCCOc1noc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.53
MGLL Q99685 1/20 0.53
CA1 P00915 6/20 0.49
CA2 P00918 6/20 0.49
CA12 O43570 5/20 0.49
CA9 Q16790 5/20 0.49
SSTR4 P31391 1/20 0.48
CYP1A1 P04798 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP3A43 Q9HB55 1/20 0.46
BCHE P06276 1/20 0.45
CNR2 P34972 1/20 0.45
MAPT P10636 1/20 0.44
CYP3A4 P08684 1/20 0.42
SCN9A Q15858 1/20 0.42
CYP1A2 P05177 1/20 0.41
IDO1 P14902 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6988008 0.97 FAAH (0.55) FAAHMGLLCA1CA2CA12
SCHEMBL6988458 0.96 FAAH (0.51) FAAHMGLLCA1CA2CA12
SCHEMBL6990733 0.82 CYP1A1 (0.45) CA1CA2CA12CA9CYP1A1
SCHEMBL6989190 0.82 NQO2 (0.48) CA1CA2CA12CA9CYP1A1
SCHEMBL6993977 0.82 CA12 (0.46) CA1CA2CA12CA9CYP1A1
SCHEMBL6988016 0.81 ALDH1A1 (0.49) FAAHCA1CA2CA12CA9
SCHEMBL6989587 0.81 FAAH (0.49) FAAHCA1CA2CA12CA9
SCHEMBL6987623 0.81 CA12 (0.45) CA1CA2CA12CA9CYP1A1
SCHEMBL6991751 0.81 CA12 (0.50) CA1CA2CA12CA9CYP1A1
SCHEMBL6992047 0.81 CA12 (0.47) CA1CA2CA12CA9CYP1A1

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 5 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
CN-1162957-A Isoxazole derivatives SANKYO CO (JP) 1997-10-22 CN disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP disclosed