SCHEMBL11488348

SCHEMBL11488348

CCOC1(c2ccccc2)OC=C(c2ccccc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
SIGMAR1 Q99720 16/20 0.49
DRD2 P14416 10/20 0.48
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11485028 0.85 SIGMAR1 (0.46) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL357523 0.83 SIGMAR1 (0.49) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL10890076 0.72 SIGMAR1 (0.39) SMN1; SMN2SIGMAR1DRD2GRIN2DGRIN3B
SCHEMBL11478910 0.71 SIGMAR1 (0.41) SMN1; SMN2SIGMAR1DRD2GRIN2DGRIN3B
SCHEMBL8700031 0.71 SIGMAR1 (0.53) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL11479263 0.70 SIGMAR1 (0.44) SIGMAR1DRD2
SCHEMBL27468872 0.69 SIGMAR1 (0.57) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL8905733 0.68 SIGMAR1 (0.51) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL3887315 0.67 SMN1; SMN2 (1.00) SMN1; SMN2CYP2C9CYP2C19NPSR1MEN1
SCHEMBL11479112 0.66 L3MBTL1 (0.38) SMN1; SMN2CYP2C9CYP2C19NPSR1MEN1

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-3969373-A Fluorogenic 2-oxy-3(2H)-furanone materials HOFFMANN-LA ROCHE INC. (US) 1976-07-13 US claimed
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
US-4018884-A Fluorogenic materials and labeling techniques HOFFMANN-LA ROCHE INC. (US) 1977-04-19 US disclosed
US-3969373-A Fluorogenic 2-oxy-3(2H)-furanone materials HOFFMANN-LA ROCHE INC. (US) 1976-07-13 US disclosed