SCHEMBL9301951

SCHEMBL9301951

OCc1cc2cc(OCc3ccccc3)ccc2c(-c2ccccc2)c1CO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.55
ALOX5 P09917 4/20 0.54
PDE5A O76074 1/20 0.51
PDE4A P27815 1/20 0.51
PDE1A P54750 1/20 0.51
PDE1B Q01064 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
PDE3B Q13370 1/20 0.51
PDE1C Q14123 1/20 0.51
PDE3A Q14432 1/20 0.51
MAOB P27338 4/20 0.44
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BCHE P06276 2/20 0.42
MAOA P21397 2/20 0.42
ACHE P22303 2/20 0.42
CYP3A4 P08684 1/20 0.42
GSTP1 P09211 1/20 0.42

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
SCHEMBL9304278 0.85 P2RY14 (0.51) P2RY14ALOX5PDE5APDE4APDE1A
SCHEMBL9301998 0.84 P2RY14 (0.61) P2RY14ALOX5MAOB
SCHEMBL9303016 0.84 P2RY14 (0.61) P2RY14ALOX5MAOB
SCHEMBL9304415 0.82 P2RY14 (0.44) P2RY14ALOX5PDE5APDE4APDE1A
SCHEMBL9302951 0.82 P2RY14 (0.56) P2RY14ALOX5MAOBBCHEMAOA
SCHEMBL9303779 0.78 P2RY14 (0.50) P2RY14ALOX5MAOBBCHEMAOA
SCHEMBL9304408 0.75 P2RY14 (0.42) P2RY14ALOX5MAOBMAOAACHE
SCHEMBL9305354 0.74 P2RY14 (0.60) P2RY14ALOX5MAOB
SCHEMBL9303553 0.74 P2RY14 (0.51) P2RY14ALOX5MAOBMAPT
SCHEMBL9301064 0.72 ALOX5 (0.51) P2RY14ALOX5MAOBMAOAACHE

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