SCHEMBL6988469

SCHEMBL6988469

CC(C)(C)OC(=O)NCCOc1noc2cccc(Cl)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
DRD2 P14416 1/20 0.41
IDO1 P14902 3/20 0.41
SCN9A Q15858 1/20 0.41
BCHE P06276 2/20 0.39
CNR2 P34972 2/20 0.39
MAPK1 P28482 2/20 0.39
PDK2 Q15119 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6988434 0.88 SCN9A (0.48) CA12CA1CA2CA9MEN1
SCHEMBL6988529 0.88 CA12 (0.45) CA12CA1CA2CA9IDO1
SCHEMBL6988124 0.87 SCN9A (0.43) GAACA12CA1CA2CA9
SCHEMBL6988405 0.87 CA12 (0.44) LMNAGAAHPGDCA12CA1
SCHEMBL6989405 0.87 CA1 (0.47) CA12CA1CA2CA9IDO1
SCHEMBL6988489 0.87 CA12 (0.42) LMNAGAAHPGDCA12CA1
SCHEMBL6992683 0.85 CA12 (0.40) LMNAGAAHPGDCA12CA1
SCHEMBL6986485 0.83 LMNA (0.44) LMNAGAAHPGDCA12CA1
SCHEMBL6992284 0.83 CA12 (0.44) GAAHPGDCA12CA1CA2
SCHEMBL6988458 0.83 FAAH (0.51) CA12CA1CA2CA9IDO1

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