SCHEMBL8893054

SCHEMBL8893054

CC(C)(C)OC(=O)NC(Cc1ccc(C(F)(F)F)cc1)C(O)CC(Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.49
PSEN2 P49810 4/20 0.49
APH1B Q8WW43 4/20 0.49
NCSTN Q92542 4/20 0.49
APH1A Q96BI3 4/20 0.49
PSENEN Q9NZ42 4/20 0.49
APP P05067 1/20 0.49
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
KLK5 Q9Y337 3/20 0.46
EPHX2 P34913 1/20 0.43
REN P00797 2/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
BACE1 P56817 2/20 0.39

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
SCHEMBL8893061 1.00 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8894867 1.00 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893828 1.00 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8894858 1.00 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8894359 0.96 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8894363 0.96 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8894481 0.96 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893149 0.94 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8893145 0.94 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8892673 0.93 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
WO-1996016980-A1 MORPHOLINOETHYLAMIDE DERIVATIVES NOVARTIS AG (CH) 1996-06-06 WO disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP disclosed