SCHEMBL2848843

SCHEMBL2848843

CC(C(=O)O)c1ccc(C(CC(C)(C)C)N2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.59
PSEN1 P49768 2/20 0.59
PSEN2 P49810 2/20 0.59
APH1B Q8WW43 2/20 0.59
NCSTN Q92542 2/20 0.59
APH1A Q96BI3 2/20 0.59
PSENEN Q9NZ42 2/20 0.59
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59
AKR1C3 P42330 8/20 0.48
AKR1C2 P52895 8/20 0.48
APP P05067 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
SCHEMBL2848283 0.90 KCNH2 (0.47) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2852606 0.86 APP (0.46) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2850158 0.85 PSEN1 (0.50) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2850155 0.85 PSEN1 (0.50) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2847151 0.82 APP (0.48) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2846613 0.81 APP (0.45) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2849040 0.76 PSEN1 (0.48) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2846305 0.75 PSEN1 (0.49) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2852869 0.75 PSEN1 (0.49) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2846307 0.75 PSEN1 (0.49) KCNH2PSEN1PSEN2APH1BNCSTN

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