SCHEMBL8945100

SCHEMBL8945100

CCCC(N)COc1noc2ccc(OC)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
TAS1R3 Q7RTX0 5/20 0.37
TAS1R1 Q7RTX1 5/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL8945050 0.86 KCNA5 (0.37) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8945166 0.86 MAPT (0.39) FAAHMGLLTAS1R3TAS1R1NPC1
SCHEMBL8944901 0.85 FAAH (0.46) FAAHMGLLTAS1R3TAS1R1KDM4E
SCHEMBL8944998 0.82 FAAH (0.58) FAAHMGLLSMN1; SMN2ACHE
Hydrochloric Acid SCHEMBL8945358 0.81 FAAH (0.57) FAAHMGLLSMN1; SMN2ACHE
SCHEMBL5617796 0.76 FAAH (0.43) FAAHMGLLNPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL6991179 0.75 FAAH (0.43) FAAHMGLLNPC1RAB9AKDM4E
SCHEMBL8945126 0.74 FAAH (0.48) FAAHMGLLTAS1R3TAS1R1KDM4E
SCHEMBL8945193 0.74 FAAH (0.45) FAAHMGLLTAS1R3TAS1R1KDM4E
SCHEMBL8944942 0.73 L3MBTL1 (0.44) NPC1RAB9ACASP3SENP8SENP7

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