SCHEMBL9303845

SCHEMBL9303845

CC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)c1cc2cc(OCc3ccccc3)ccc2c(-c2ccccc2)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.43
P2RY14 Q15391 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 6/20 0.36
ACHE P22303 1/20 0.35
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
MAOA P21397 3/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9304408 0.85 P2RY14 (0.42) ALOX5P2RY14MAOBACHECASP3
SCHEMBL9303279 0.84 ALOX5 (0.41) ALOX5P2RY14MAOBACHECASP3
SCHEMBL9303192 0.82 P2RY14 (0.41) ALOX5P2RY14MEN1KMT2AMAOB
SCHEMBL9303851 0.73 ALOX5 (0.45) ALOX5P2RY14NPC1RAB9AMEN1
SCHEMBL9303261 0.67 P2RY14 (0.57) ALOX5P2RY14MEN1KMT2AMAOB
SCHEMBL9302917 0.65 P2RY14 (0.55) ALOX5P2RY14MEN1KMT2AMAOB
SCHEMBL9301873 0.65 ALOX5 (0.68) ALOX5P2RY14MAOBMAOA
SCHEMBL9302951 0.64 P2RY14 (0.56) ALOX5P2RY14MAOBACHECASP3
SCHEMBL6825691 0.63 MAOB (0.52) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL9301064 0.63 ALOX5 (0.51) ALOX5P2RY14NPC1RAB9AMEN1

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