SCHEMBL8944963

SCHEMBL8944963

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
AAK1 Q2M2I8 6/20 0.37
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TRPA1 O75762 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
ALOX12 P18054 1/20 0.34
SYK P43405 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33

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
SCHEMBL8945081 0.92 FAAH (0.43) FAAHAAK1TAS1R3TAS1R1TRPA1
SCHEMBL8944929 0.91 FAAH (0.42) FAAHAAK1TAS1R3TAS1R1TRPA1
SCHEMBL8945028 0.91 FAAH (0.42) FAAHAAK1TAS1R3TAS1R1TRPA1
SCHEMBL8945072 0.90 FAAH (0.43) FAAHAAK1TAS1R3TAS1R1TRPA1
SCHEMBL8944932 0.87 FAAH (0.41) FAAHAAK1TAS1R3TAS1R1TRPA1
SCHEMBL8944950 0.86 FAAH (0.46) FAAHAAK1TAS1R3TAS1R1TRPA1
SCHEMBL8945148 0.86 FAAH (0.42) FAAHAAK1TAS1R3TAS1R1TRPA1
SCHEMBL8945482 0.84 FAAH (0.44) FAAHAAK1TAS1R3TAS1R1TRPA1
SCHEMBL8944941 0.83 FAAH (0.43) FAAHAAK1TAS1R3TAS1R1TRPA1
SCHEMBL8945043 0.81 CTSS (0.37) FAAHAAK1SYKHDAC3HDAC4

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