SCHEMBL8944942

SCHEMBL8944942

COCC(N)COc1noc2ccc(OCc3ccccc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 1/20 0.44
MAOB P27338 5/20 0.43
MAOA P21397 3/20 0.43
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
ACHE P22303 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LTA4H P09960 1/20 0.38

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
Hydrochloric Acid SCHEMBL8944939 0.99 L3MBTL1 (0.43) L3MBTL1PKMMAOBMAOACASP3
SCHEMBL8945338 0.80 L3MBTL1 (0.46) L3MBTL1PKMMAOBMAOACASP3
Hydrochloric Acid SCHEMBL8945355 0.80 FAAH (0.55) MAOBACHENPC1RAB9A
Hydrochloric Acid SCHEMBL8945078 0.79 ESR1 (0.41)
SCHEMBL8945123 0.77 FAAH (0.48)
Hydrochloric Acid SCHEMBL8945091 0.76 FAAH (0.47)
SCHEMBL8945050 0.74 KCNA5 (0.37) CASP3SENP8SENP7SENP6ACHE
SCHEMBL8945316 0.74 SCN4A (0.53) ACHE
SCHEMBL8290792 0.73 MAOB (0.52) L3MBTL1PKMMAOBMAOACASP3
SCHEMBL8945100 0.73 FAAH (0.39) CASP3SENP8SENP7SENP6ACHE

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