SCHEMBL2852606

SCHEMBL2852606

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
KCNH2 Q12809 2/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HRH3 Q9Y5N1 1/20 0.34
P2RY14 Q15391 1/20 0.34

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
SCHEMBL2850155 0.87 PSEN1 (0.50) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2850158 0.87 PSEN1 (0.50) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2848843 0.86 KCNH2 (0.59) APPKCNH2PTGS1PTGS2PSEN1
SCHEMBL2847151 0.85 APP (0.48) APPKCNH2PTGS1PTGS2PSEN1
SCHEMBL2848283 0.85 KCNH2 (0.47) APPKCNH2PTGS1PTGS2PSEN1
SCHEMBL2849040 0.78 PSEN1 (0.48) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2852869 0.75 PSEN1 (0.49) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2846305 0.75 PSEN1 (0.49) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2846307 0.75 PSEN1 (0.49) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2850235 0.73 PSEN1 (0.49) APPKCNH2PTGS1PTGS2PSEN1

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