SCHEMBL2849040

SCHEMBL2849040

CC(C)(C)CCC(c1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.48
PSEN2 P49810 5/20 0.48
APH1B Q8WW43 5/20 0.48
NCSTN Q92542 5/20 0.48
APH1A Q96BI3 5/20 0.48
PSENEN Q9NZ42 5/20 0.48
KCNH2 Q12809 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
PTGDR2 Q9Y5Y4 7/20 0.40
RXRA P19793 4/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 3/20 0.38
CYP2C9 P11712 1/20 0.38
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL2850158 0.91 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2850155 0.91 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2852869 0.90 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2846307 0.90 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2846305 0.90 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2850235 0.85 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2853861 0.80 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2878111 0.80 KCNH2 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2852606 0.78 APP (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7803581 0.78 PSEN1 (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO claimed