SCHEMBL9302893

SCHEMBL9302893

CC(C)(C)[Si](Oc1c(C(=O)O)c(CO)c(-c2ccccc2)c2ccc(OCc3ccccc3)cc12)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.42
ANO1 Q5XXA6 3/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
EDNRA P25101 1/20 0.37
MCL1 Q07820 1/20 0.36
MAOB P27338 1/20 0.36
DPP4 P27487 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PDE5A O76074 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALOX5 P09917 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
SCHEMBL9305038 0.87 DPP4 (0.34) DPP4MAPT
SCHEMBL9302692 0.84 ANO1 (0.35) ANO1ALOX5MAPT
SCHEMBL9303153 0.82 P2RY14 (0.47) P2RY14ANO1LTB4RLTB4R2CASP3
SCHEMBL9303553 0.79 P2RY14 (0.51) P2RY14ANO1CASP3SENP8SENP7
SCHEMBL9304415 0.75 P2RY14 (0.44) P2RY14LTB4RLTB4R2MAOBEGLN2
SCHEMBL9301998 0.69 P2RY14 (0.61) P2RY14MCL1MAOBALOX5
SCHEMBL7095572 0.69 MAOB (0.50) MAOBALOX5MAPT
SCHEMBL9303016 0.67 P2RY14 (0.61) P2RY14LTB4RLTB4R2CASP3SENP8
SCHEMBL9305047 0.67 FABP3 (0.33)
SCHEMBL9301951 0.66 P2RY14 (0.55) P2RY14MAOBPDE5APDE4APDE4B

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