SCHEMBL8944950

SCHEMBL8944950

CC(C)(C)OC(=O)NC(CO)COc1noc2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
AAK1 Q2M2I8 7/20 0.41
TRPA1 O75762 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36
SYK P43405 1/20 0.36
S1PR3 Q99500 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
PTGER1 P34995 1/20 0.35

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
SCHEMBL8945482 0.92 FAAH (0.44) FAAHAAK1TRPA1TP53SMN1; SMN2
SCHEMBL8945081 0.89 FAAH (0.43) FAAHAAK1TRPA1TP53SMN1; SMN2
SCHEMBL8945072 0.89 FAAH (0.43) FAAHAAK1TRPA1TP53SMN1; SMN2
SCHEMBL8944941 0.89 FAAH (0.43) FAAHAAK1TRPA1TP53SMN1; SMN2
SCHEMBL8945585 0.88 AAK1 (0.40) FAAHAAK1SYK
SCHEMBL8945148 0.88 FAAH (0.42) FAAHAAK1TRPA1TP53SMN1; SMN2
SCHEMBL8945028 0.88 FAAH (0.42) FAAHAAK1TRPA1TP53SMN1; SMN2
SCHEMBL8944929 0.88 FAAH (0.42) FAAHAAK1TRPA1TP53SMN1; SMN2
SCHEMBL8945202 0.87 CA12 (0.41) AAK1
SCHEMBL8944932 0.87 FAAH (0.41) 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