SCHEMBL4779899

SCHEMBL4779899

CC(C)(Oc1cccc(C(F)(F)F)c1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
PRSS1 P07477 1/20 0.48
ACR P10323 1/20 0.48
ATM Q13315 1/20 0.45
MAPT P10636 1/20 0.45
PPARG P37231 4/20 0.45
CES2 O00748 1/20 0.45
PPARA Q07869 1/20 0.45
MAOB P27338 3/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
AOC3 Q16853 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
SCHEMBL10566944 0.86 KDM4E (0.48) KDM4EPRSS1ACRATMMAPT
SCHEMBL3372794 0.86 PPARG (0.51) KDM4EATMMAPTPPARGCES2
SCHEMBL11570463 0.84 KDM4E (0.50) KDM4EPRSS1ACRATMMAPT
SCHEMBL15271467 0.79 CYP3A4 (0.48) MAPTPPARGPPARAMAOB
SCHEMBL14269982 0.79 LMNA (0.51) MAPTPPARGPPARA
SCHEMBL14269947 0.79 NPSR1 (0.49) KDM4EMAPTPPARGPPARAMRGPRX4
SCHEMBL2737127 0.78 L3MBTL1 (0.47) KDM4EATMMAPTPPARGCES2
SCHEMBL11264759 0.77 KDM4E (0.47) KDM4EPRSS1ACRATMMAPT
SCHEMBL11175043 0.77 MAPT (0.50) KDM4EATMMAPTPPARGCES2
SCHEMBL29920925 0.77 MEN1 (0.66) KDM4EPRSS1ACRATMPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006024627-A9 N-2 ADAMANTANYL-2-PHENOXY-ACETAMIDE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-02-14 WO claimed
EP-1796657-A2 N-2 ADAMANTANYL-2-PHENOXY-ACETAMIDE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-20 EP claimed
WO-2006024627-A2 N-2 ADAMANTANYL-2-PHENOXY-ACETAMIDE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-09 WO claimed
WO-2006024627-A9 N-2 ADAMANTANYL-2-PHENOXY-ACETAMIDE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-02-14 WO disclosed
EP-1796657-A2 N-2 ADAMANTANYL-2-PHENOXY-ACETAMIDE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-20 EP disclosed
WO-2006024627-A2 N-2 ADAMANTANYL-2-PHENOXY-ACETAMIDE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-09 WO disclosed