SCHEMBL8945130

SCHEMBL8945130

NC(COc1noc2ccccc12)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
ACHE P22303 1/20 0.40
SCN4A P35499 8/20 0.39
SSTR4 P31391 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
MAOB P27338 1/20 0.35
CA5A P35218 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
SCHEMBL8945137 0.89 SCN4A (0.50) FAAHMGLLACHESCN4ACA12
SCHEMBL8945017 0.86 FAAH (0.43) FAAHMGLLESR1ESR2ACHE
SCHEMBL8945343 0.85 FAAH (0.47) FAAHMGLLESR2ACHESCN4A
SCHEMBL8945366 0.84 FAAH (0.46) FAAHMGLLACHESCN4ASSTR4
SCHEMBL8945162 0.83 FAAH (0.41) FAAHMGLLACHESCN4ASSTR4
SCHEMBL8944917 0.83 FAAH (0.44) FAAHESR1ESR2SCN4AMGAM
Hydrochloric Acid SCHEMBL8945185 0.82 FAAH (0.44) FAAHESR1ESR2SCN4AMGAM
SCHEMBL8945218 0.80 FAAH (0.44) FAAHMGLLACHESCN4ASSTR4
SCHEMBL8945016 0.77 FAAH (0.56) FAAHMGLLACHESCN4ASSTR4
Hydrochloric Acid SCHEMBL8945101 0.77 FAAH (0.49) FAAHMGLLESR1ESR2ACHE

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