SCHEMBL9253316

SCHEMBL9253316

O=C(C1=COc2cc(O)ccc2O1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.56
LTB4R2 Q9NPC1 1/20 0.56
GRIN2D O15399 2/20 0.53
GRIN3B O60391 2/20 0.53
GRIN1 Q05586 2/20 0.53
GRIN2A Q12879 2/20 0.53
GRIN2B Q13224 2/20 0.53
GRIN2C Q14957 2/20 0.53
GRIN3A Q8TCU5 2/20 0.53
MGLL Q99685 1/20 0.48
SPR P35270 1/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
MAPK14 Q16539 3/20 0.48
HTR2B P41595 2/20 0.48

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
SCHEMBL9261873 0.81 MEN1 (0.53)
SCHEMBL9257657 0.81 HPGD (0.47) CYP2C9CYP2C19
SCHEMBL9261899 0.76 ALDH1A1 (0.55)
SCHEMBL7163069 0.75 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9785745 0.75 CYP2C9 (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9261971 0.74 HSD11B1 (0.56) MGLL
SCHEMBL7158838 0.73 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9257855 0.73 KDM4E (0.50) MGLLCYP2C19
SCHEMBL9256417 0.72 CA12 (0.43) MGLL
SCHEMBL7232379 0.71 HTT (0.73) CYP2C9CYP2C19MAPK14HTR2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US disclosed
US-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US disclosed
EP-0624582-A1 Substituted benzodioxine, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-11-17 EP disclosed