SCHEMBL8945398

SCHEMBL8945398

CC(C)(C)OC(=O)NC(COc1noc2ccc(Cl)cc12)Cc1cc(OS(=O)(=O)c2ccccc2)no1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
HTT P42858 4/20 0.34
NPSR1 Q6W5P4 4/20 0.34
HDAC3 O15379 4/20 0.34
HDAC4 P56524 4/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC7 Q8WUI4 4/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC10 Q969S8 4/20 0.34
HDAC11 Q96DB2 4/20 0.34
HDAC8 Q9BY41 4/20 0.34
HDAC6 Q9UBN7 4/20 0.34
HDAC9 Q9UKV0 4/20 0.34
HDAC5 Q9UQL6 4/20 0.34
HSD17B10 Q99714 3/20 0.34
LMNA P02545 3/20 0.34
PKM P14618 3/20 0.34
TP53 P04637 3/20 0.34

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
SCHEMBL8945149 0.84 FAAH (0.41) FAAHALDH1A1HPGDHDAC3HDAC4
SCHEMBL8945161 0.80 ATM (0.41) ALDH1A1HPGDHTTNPSR1HSD17B10
SCHEMBL8944950 0.80 FAAH (0.46) FAAHALDH1A1HPGDLMNAPKM
SCHEMBL8945148 0.79 FAAH (0.42) FAAHALDH1A1HPGDHTTNPSR1
SCHEMBL8945068 0.79 FAAH (0.40) FAAHALDH1A1HDAC3HDAC4HDAC1
SCHEMBL8945482 0.78 FAAH (0.44) FAAHALDH1A1HPGDHDAC3HDAC4
SCHEMBL8944941 0.77 FAAH (0.43) FAAHALDH1A1TP53KMT2ASMN1; SMN2
SCHEMBL8945081 0.77 FAAH (0.43) FAAHALDH1A1HPGDHDAC3HDAC4
SCHEMBL8945072 0.77 FAAH (0.43) FAAHALDH1A1HPGDHDAC3HDAC4
SCHEMBL8945028 0.76 FAAH (0.42) FAAHALDH1A1HPGDHDAC3HDAC4

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