SCHEMBL8375518

SCHEMBL8375518

Cc1c(OCCNC(=O)OC(C)(C)C)noc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.46
IDO1 P14902 1/20 0.45
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
S1PR1 P21453 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
BCHE P06276 3/20 0.41
CNR2 P34972 2/20 0.41
PDK2 Q15119 1/20 0.41
SCN9A Q15858 1/20 0.41
SUCNR1 Q9BXA5 2/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 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
SCHEMBL8374995 0.89 LMNA (0.42) IDO1CA12CA1CA2CA9
SCHEMBL8380070 0.89 IDO1 (0.45) GABRA5IDO1CKS1BSKP1SKP2
SCHEMBL8378860 0.88 IDO1 (0.44) GABRA5IDO1CKS1BSKP1SKP2
SCHEMBL8380037 0.88 IDO1 (0.44) GABRA5IDO1CKS1BSKP1SKP2
SCHEMBL8376483 0.88 IDO1 (0.44) GABRA5IDO1CKS1BSKP1SKP2
SCHEMBL8377401 0.88 IDO1 (0.44) GABRA5IDO1CKS1BSKP1SKP2
SCHEMBL8377359 0.88 IDO1 (0.44) GABRA5IDO1CKS1BSKP1SKP2
SCHEMBL8375717 0.87 IDO1 (0.43) GABRA5IDO1CKS1BSKP1SKP2
SCHEMBL8376534 0.87 GABRA5 (0.44) GABRA5IDO1CKS1BSKP1SKP2
SCHEMBL8375560 0.87 IDO1 (0.43) GABRA5IDO1CKS1BSKP1SKP2

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