SCHEMBL8905733

SCHEMBL8905733

O=C1C(c2ccccc2)=COC1(O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.51
DRD2 P14416 13/20 0.51
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40

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
SCHEMBL11479739 0.88 SIGMAR1 (0.42) SIGMAR1DRD2
SCHEMBL11490886 0.82 FFAR1 (0.51) SIGMAR1DRD2
SCHEMBL16451470 0.78 SIGMAR1 (0.40) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL8700031 0.75 SIGMAR1 (0.53) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL27468872 0.72 SIGMAR1 (0.57) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL357523 0.71 SIGMAR1 (0.49) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL11485028 0.68 SIGMAR1 (0.46) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL28441240 0.66 SIGMAR1 (0.37) SIGMAR1DRD2
SCHEMBL37303 0.64 CFTR (0.44) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL6341038 0.64 CFTR (0.44) SIGMAR1DRD2GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4038289-A FLUORESCENT LABELING, BIOLOGICAL HOFFMANN-LA ROCHE INC. (US) 1977-07-26 US claimed
US-5698585-A FOR SENILE CATARACT CAUSED BY OXIDATION DISORDER; VISION DEFECTS KIKKOMAN CORPORATION (JP) 1997-12-16 US disclosed
EP-0737476-A2 A pharmaceutical preparation containing a 3-(2H)-furanone derivative for prevention and/or treatment of cataracts KIKKOMAN CORPORATION (JP) 1996-10-16 EP disclosed
US-4238589-A A 1-TERT-AMINO-4-PHENYL-2-(CARBOXY-SUBSTITUTED PHENYL)-1-BUTEN-3,4-DIONE; CHEMICAL INTERMEDIATE HOFFMANN-LA ROCHE INC. (US) 1980-12-09 US disclosed
US-4045487-A FLUOROGENIC REAGENTS HOFFMANN-LA ROCHE INC. (US) 1977-08-30 US disclosed
US-4038289-A FLUORESCENT LABELING, BIOLOGICAL HOFFMANN-LA ROCHE INC. (US) 1977-07-26 US disclosed