SCHEMBL8945382

SCHEMBL8945382

CC(C)(C)OC(=O)NC(CO)COc1noc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.44
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
AAK1 Q2M2I8 5/20 0.40
HDAC3 O15379 6/20 0.40
HDAC4 P56524 6/20 0.40
HDAC1 Q13547 6/20 0.40
HDAC7 Q8WUI4 6/20 0.40
HDAC2 Q92769 6/20 0.40
HDAC10 Q969S8 6/20 0.40
HDAC11 Q96DB2 6/20 0.40
HDAC8 Q9BY41 6/20 0.40
HDAC6 Q9UBN7 6/20 0.40
HDAC9 Q9UKV0 6/20 0.40
HDAC5 Q9UQL6 6/20 0.40
ATM Q13315 1/20 0.40
ACACB O00763 1/20 0.37
SSTR3 P32745 1/20 0.36
SYK P43405 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL8945585 0.85 AAK1 (0.40) SSTR4FAAHAAK1HDAC3HDAC4
SCHEMBL8944950 0.85 FAAH (0.46) FAAHAAK1SYKGAAKMT2A
SCHEMBL8945202 0.85 CA12 (0.41) AAK1HDAC3HDAC1HDAC2HDAC10
SCHEMBL8945324 0.84 CYP3A4 (0.42) SSTR4HDAC3HDAC4HDAC1HDAC7
SCHEMBL8945110 0.84 CTSS (0.39) SSTR4FAAHAAK1HDAC3HDAC4
SCHEMBL8945356 0.82 AAK1 (0.38) AAK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8945097 0.81 AAK1 (0.38) FAAHAAK1HDAC3HDAC4HDAC1
SCHEMBL8945482 0.78 FAAH (0.44) FAAHAAK1HDAC3HDAC4HDAC1
SCHEMBL6988458 0.77 FAAH (0.51) SSTR4FAAHMGLLCYP1A2
SCHEMBL6992057 0.76 FAAH (0.53) SSTR4FAAHMGLLCYP1A2

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