SCHEMBL8945149

SCHEMBL8945149

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
AAK1 Q2M2I8 4/20 0.37
TRPA1 O75762 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
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
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 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 0.86 FAAH (0.46) FAAHAAK1TRPA1TP53SMN1; SMN2
SCHEMBL8945482 0.84 FAAH (0.44) FAAHAAK1TRPA1TP53SMN1; SMN2
SCHEMBL8945398 0.84 FAAH (0.35) FAAHAAK1TP53SMN1; SMN2HDAC3
SCHEMBL8945068 0.83 FAAH (0.40) FAAHAAK1TRPA1TP53SMN1; SMN2
SCHEMBL8945081 0.83 FAAH (0.43) FAAHAAK1TRPA1TP53SMN1; SMN2
SCHEMBL8944941 0.83 FAAH (0.43) FAAHAAK1TRPA1TP53SMN1; SMN2
SCHEMBL8945072 0.83 FAAH (0.43) FAAHAAK1TRPA1TP53SMN1; SMN2
SCHEMBL8944929 0.82 FAAH (0.42) FAAHAAK1TRPA1TP53SMN1; SMN2
SCHEMBL8945028 0.82 FAAH (0.42) FAAHAAK1TRPA1TP53SMN1; SMN2
SCHEMBL8945148 0.82 FAAH (0.42) FAAHAAK1TRPA1TP53SMN1; SMN2

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