SCHEMBL8377351

SCHEMBL8377351

Cc1ccc(-c2onc(OCCNC(=O)OC(C)(C)C)c2C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
S1PR1 P21453 1/20 0.37
SCN9A Q15858 1/20 0.36
SUCNR1 Q9BXA5 3/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
GABRA5 P31644 1/20 0.36
BCHE P06276 2/20 0.35
CNR2 P34972 2/20 0.35
IDO1 P14902 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL8376442 0.91 LMNA (0.40) CA12CA1CA2CA9MAPT
SCHEMBL8375760 0.91 IDO1 (0.43) CA12CA1CA2CA9MAPT
SCHEMBL8378805 0.84 IDO1 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL8377356 0.84 S1PR1 (0.44) CA12CA1CA2CA9MAPT
SCHEMBL8377410 0.82 S1PR1 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL8375796 0.82 ADORA2A (0.43) CA12CA1CA2CA9SCN9A
SCHEMBL8377409 0.81 PDK2 (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL8375676 0.81 RAB9A (0.41) CA12CA1CA2CA9MAPT
SCHEMBL8376923 0.81 S1PR1 (0.41) CA12CA1CA2CA9MAPT
SCHEMBL8378816 0.80 S1PR1 (0.42) CA12CA1CA2CA9MAPT

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