SCHEMBL9302951

SCHEMBL9302951

CC(=O)c1c(CO)cc2cc(OCc3ccccc3)ccc2c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.56
ALOX5 P09917 5/20 0.54
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
MAOB P27338 6/20 0.48
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
BCHE P06276 2/20 0.43
MAOA P21397 2/20 0.43
ACHE P22303 2/20 0.43
SRD5A2 P31213 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL9303016 0.91 P2RY14 (0.61) P2RY14ALOX5CASP3SENP8SENP7
SCHEMBL9303261 0.85 P2RY14 (0.57) P2RY14ALOX5CASP3SENP8SENP7
SCHEMBL9301951 0.82 P2RY14 (0.55) P2RY14ALOX5MAOBBCHEMAOA
SCHEMBL9304278 0.82 P2RY14 (0.51) P2RY14ALOX5CASP3SENP8SENP7
SCHEMBL9303779 0.81 P2RY14 (0.50) P2RY14ALOX5CASP3SENP8SENP7
SCHEMBL9305354 0.79 P2RY14 (0.60) P2RY14ALOX5MAOBSRD5A2
SCHEMBL9303007 0.79 MRGPRX4 (0.50) P2RY14MAOBSRD5A2
SCHEMBL9301064 0.77 ALOX5 (0.51) P2RY14ALOX5CASP3SENP8SENP7
SCHEMBL9301998 0.77 P2RY14 (0.61) P2RY14ALOX5MAOBSRD5A2
SCHEMBL9303687 0.76 P2RY14 (0.57) P2RY14ALOX5MAOBSRD5A2

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