SCHEMBL9302396

SCHEMBL9302396

O=C(O)c1cc2cc(OS(=O)(=O)C(F)(F)F)ccc2c(-c2ccccc2)c1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
P2RY14 Q15391 1/20 0.38
PDE5A O76074 1/20 0.35
PDE4A P27815 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE1C Q14123 1/20 0.35
PDE3A Q14432 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 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
SCHEMBL9301998 0.80 P2RY14 (0.61) P2RY14ALOX5
SCHEMBL9242812 0.77 GRIN2D (0.44) GRIN2DGRIN2AGRIN2BGRIN2CPTPN2
SCHEMBL9302726 0.77 PTPN1 (0.48) P2RY14PDE4BPDE4DGRIN2DGRIN2A
SCHEMBL9303051 0.77 CA12 (0.45) P2RY14GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL9301525 0.75 P2RY14 (0.46) HSD11B1P2RY14ADORA2AADORA1DRD2
SCHEMBL9302447 0.74 GRIN2D (0.41) P2RY14GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL9303741 0.74 MEN1 (0.52) PDE5APDE4BPDE4DPTPN11
SCHEMBL15417088 0.71 HSD11B1 (0.45) HSD11B1DRD2DRD3HTR1AHTR1D
SCHEMBL13016398 0.71 ADORA2A (0.41) HSD11B1ADORA2AADORA1DRD2DRD3
SCHEMBL9300719 0.70 ALOX5 (0.49) P2RY14DRD2DRD3ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5281720-A Antiasthmatics, antiallergens, antiinflammatory agents and cytoprotective agents MERCK FROSST CANADA, INC. 1994-01-25 US disclosed
US-5227399-A Pyranylphenyl naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1993-07-13 US disclosed
EP-0501579-A1 Naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP disclosed
EP-0501578-A1 Pyranylphenyl hydroxyalkylnaphthoic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP disclosed