SCHEMBL8375557

SCHEMBL8375557

CC(C)(C)OC(=O)NCCOc1cc(-c2ccc(-c3ccccc3)cc2)on1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.47
CNR2 P34972 2/20 0.47
GABRA5 P31644 1/20 0.45
FAAH O00519 2/20 0.45
IDO1 P14902 1/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
SUCNR1 Q9BXA5 2/20 0.44
HDAC1 Q13547 5/20 0.43
HDAC6 Q9UBN7 5/20 0.43
HDAC3 O15379 4/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL8378941 0.98 GABRA5 (0.46) BCHECNR2GABRA5FAAHIDO1
SCHEMBL8378917 0.92 BCHE (0.49) BCHECNR2GABRA5IDO1CKS1B
SCHEMBL8375551 0.90 HDAC1 (0.44) BCHECNR2SUCNR1HDAC1HDAC6
SCHEMBL8379534 0.90 TP53 (0.47) BCHECNR2GABRA5SUCNR1HDAC1
SCHEMBL8375763 0.89 IDO1 (0.44) BCHECNR2IDO1HDAC1HDAC6
SCHEMBL8378887 0.89 CA12 (0.45) BCHECNR2IDO1SUCNR1HDAC1
SCHEMBL8376903 0.89 TP53 (0.47) BCHECNR2HDAC1HDAC6HDAC3
SCHEMBL8375021 0.89 BCHE (0.57) BCHECNR2IDO1SUCNR1PDK2
SCHEMBL8376488 0.88 HDAC1 (0.51) BCHECNR2GABRA5HDAC1HDAC6
SCHEMBL8380141 0.88 NPC1 (0.51) BCHECNR2SUCNR1HDAC1HDAC6

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