SCHEMBL8944941

SCHEMBL8944941

CC(C)(C)OC(=O)NC(CC#N)COc1noc2ccc(Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
CTSL P07711 2/20 0.40
SYK P43405 1/20 0.40
AAK1 Q2M2I8 6/20 0.39
TRPA1 O75762 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSS P25774 6/20 0.35
CTSK P43235 4/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSB P07858 1/20 0.34
KCNH2 Q12809 1/20 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
SCHEMBL8944950 0.89 FAAH (0.46) FAAHCTSLSYKAAK1TRPA1
SCHEMBL8945482 0.87 FAAH (0.44) FAAHCTSLSYKAAK1TRPA1
SCHEMBL8945072 0.85 FAAH (0.43) FAAHSYKAAK1TRPA1TP53
SCHEMBL8945081 0.85 FAAH (0.43) FAAHSYKAAK1TRPA1TP53
SCHEMBL8944929 0.84 FAAH (0.42) FAAHSYKAAK1TRPA1TP53
SCHEMBL8945028 0.84 FAAH (0.42) FAAHSYKAAK1TRPA1TP53
SCHEMBL8945148 0.84 FAAH (0.42) FAAHSYKAAK1TRPA1TP53
SCHEMBL8944932 0.84 FAAH (0.41) FAAHSYKAAK1TRPA1TP53
SCHEMBL8944963 0.83 FAAH (0.41) FAAHSYKAAK1TRPA1TP53
SCHEMBL8945149 0.83 FAAH (0.41) FAAHCTSLSYKAAK1TRPA1

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