SCHEMBL2850119

SCHEMBL2850119

CC(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.56
PSEN2 P49810 1/20 0.56
APH1B Q8WW43 1/20 0.56
NCSTN Q92542 1/20 0.56
APH1A Q96BI3 1/20 0.56
PSENEN Q9NZ42 1/20 0.56
THRB P10828 2/20 0.46
RXRA P19793 9/20 0.44
RXRB P28702 8/20 0.44
RXRG P48443 8/20 0.44
SLC6A9 P48067 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.41
PPARD Q03181 4/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGDR Q13258 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
THRA P10827 1/20 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
SCHEMBL2841883 0.83 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597643 0.76 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7803581 0.76 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2846362 0.75 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2846307 0.74 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2846305 0.74 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2852869 0.74 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2841878 0.74 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597847 0.73 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4597814 0.73 PSEN1 (0.58) 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 2 patents. 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 disclosed
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed