SCHEMBL8945338

SCHEMBL8945338

CC(C)(N)COc1noc2ccc(OCc3ccccc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 1/20 0.46
MAOB P27338 6/20 0.44
MAOA P21397 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
ACHE P22303 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ALOX5 P09917 1/20 0.40
CYP3A4 P08684 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL8944942 0.80 L3MBTL1 (0.44) L3MBTL1PKMMAOBMAOANPC1
Hydrochloric Acid SCHEMBL8944939 0.79 L3MBTL1 (0.43) L3MBTL1PKMMAOBMAOANPC1
SCHEMBL8945315 0.78 FAAH (0.56) MAOBNPC1RAB9AACHECYP3A4
Hydrochloric Acid SCHEMBL8945205 0.77 FAAH (0.55) MAOBNPC1RAB9AACHECYP3A4
SCHEMBL8945012 0.76 FAAH (0.50)
SCHEMBL8945044 0.76 FAAH (0.36)
Hydrochloric Acid SCHEMBL8945446 0.75 FAAH (0.49)
SCHEMBL8290792 0.75 MAOB (0.52) L3MBTL1PKMMAOBMAOANPC1
SCHEMBL6784895 0.74 MAOB (0.45) MAOBMAOAACHECYP3A4BRD4
SCHEMBL5809583 0.71 HTR2A (0.41) MAOBMAOAACHEBRD4

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