SCHEMBL8378917

SCHEMBL8378917

CC(C)(C)OC(=O)NCCOc1cc(-c2ccc(Oc3ccccc3)cc2)on1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.49
CNR2 P34972 2/20 0.49
SUCNR1 Q9BXA5 5/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
PDK2 Q15119 1/20 0.44
IDO1 P14902 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC3 O15379 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
GABRA5 P31644 1/20 0.41
HDAC4 P56524 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
SCHEMBL8375557 0.92 BCHE (0.47) BCHECNR2SUCNR1CA12CA1
SCHEMBL8378941 0.92 GABRA5 (0.46) BCHECNR2SUCNR1CA12CA1
SCHEMBL8375021 0.89 BCHE (0.57) BCHECNR2SUCNR1CA12CA1
SCHEMBL8380141 0.89 NPC1 (0.51) BCHECNR2SUCNR1CA12CA1
SCHEMBL8378768 0.87 BCHE (0.45) BCHECNR2SUCNR1CA12CA1
SCHEMBL8379534 0.86 TP53 (0.47) BCHECNR2SUCNR1CA12CA1
SCHEMBL8375551 0.86 HDAC1 (0.44) BCHECNR2SUCNR1CA12CA1
SCHEMBL8376903 0.85 TP53 (0.47) BCHECNR2CA12CA1CA2
SCHEMBL8378887 0.85 CA12 (0.45) BCHECNR2SUCNR1CA12CA1
SCHEMBL8375763 0.85 IDO1 (0.44) BCHECNR2CA12CA1CA2

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