SCHEMBL8945585

SCHEMBL8945585

CC(C)(C)OC(=O)NC(CO)COc1noc2ccc(N)cc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.40
HDAC3 O15379 5/20 0.34
HDAC4 P56524 5/20 0.34
HDAC1 Q13547 5/20 0.34
HDAC7 Q8WUI4 5/20 0.34
HDAC2 Q92769 5/20 0.34
HDAC10 Q969S8 5/20 0.34
HDAC11 Q96DB2 5/20 0.34
HDAC8 Q9BY41 5/20 0.34
HDAC6 Q9UBN7 5/20 0.34
HDAC9 Q9UKV0 5/20 0.34
HDAC5 Q9UQL6 5/20 0.34
ATM Q13315 1/20 0.33
SYK P43405 1/20 0.33
MAP4K4 O95819 1/20 0.33
JAK2 O60674 1/20 0.33
FAAH O00519 1/20 0.32
SSTR4 P31391 1/20 0.32

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
SCHEMBL8944950 0.88 FAAH (0.46) AAK1SYKFAAH
SCHEMBL8945202 0.87 CA12 (0.41) AAK1HDAC3HDAC1HDAC2HDAC10
SCHEMBL8945110 0.86 CTSS (0.39) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8945382 0.85 SSTR4 (0.44) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8945356 0.85 AAK1 (0.38) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8945097 0.84 AAK1 (0.38) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8945482 0.80 FAAH (0.44) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6992047 0.79 CA12 (0.47) ATM
SCHEMBL8945081 0.79 FAAH (0.43) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8944929 0.78 FAAH (0.42) AAK1HDAC3HDAC4HDAC1HDAC7

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-5578627-A FOR TREATING CEREBRAL CIRCULATORY DISORDER, HEAD INJURY SEQUELAE AND/OR EPILEPSY TOYAMA CHEMICAL CO., LTD. (JP) 1996-11-26 US disclosed
EP-0665226-A1 NOVEL 1,2-BENZISOXAZOLE DERIVATIVE OR SALT THEREOF, AND BRAIN PROTECTIVE AGENT COMPRISING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 1995-08-02 EP disclosed