SCHEMBL8377359

SCHEMBL8377359

CC(C)(C)OC(=O)NCCOc1noc(-c2ccccc2)c1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
GABRA5 P31644 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
S1PR1 P21453 1/20 0.42
PDK2 Q15119 1/20 0.40
SCN9A Q15858 1/20 0.40
BCHE P06276 2/20 0.39
CNR2 P34972 1/20 0.39
SUCNR1 Q9BXA5 3/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MALT1 Q9UDY8 1/20 0.37
MAPT P10636 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
SCHEMBL8375518 0.88 GABRA5 (0.46) IDO1CKS1BSKP1SKP2GABRA5
SCHEMBL8380070 0.88 IDO1 (0.45) IDO1CKS1BSKP1SKP2GABRA5
SCHEMBL8377401 0.87 IDO1 (0.44) IDO1CKS1BSKP1SKP2GABRA5
SCHEMBL8376483 0.87 IDO1 (0.44) IDO1CKS1BSKP1SKP2GABRA5
SCHEMBL8380037 0.87 IDO1 (0.44) IDO1CKS1BSKP1SKP2GABRA5
SCHEMBL8378860 0.87 IDO1 (0.44) IDO1CKS1BSKP1SKP2GABRA5
SCHEMBL8375717 0.86 IDO1 (0.43) IDO1CKS1BSKP1SKP2GABRA5
SCHEMBL8376534 0.86 GABRA5 (0.44) IDO1CKS1BSKP1SKP2GABRA5
SCHEMBL8375560 0.86 IDO1 (0.43) IDO1CKS1BSKP1SKP2GABRA5
SCHEMBL8376584 0.85 PTGS1 (0.51) IDO1CKS1BSKP1SKP2GABRA5

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
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed