SCHEMBL2846830

SCHEMBL2846830

CC1CCN(C(C)(c2ccc(F)cc2)c2ccc(C(C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.68
PTGS1 P23219 1/20 0.68
PTGS2 P35354 1/20 0.68
PSEN1 P49768 1/20 0.68
PSEN2 P49810 1/20 0.68
APH1B Q8WW43 1/20 0.68
NCSTN Q92542 1/20 0.68
APH1A Q96BI3 1/20 0.68
PSENEN Q9NZ42 1/20 0.68
AKR1C3 P42330 13/20 0.52
AKR1C2 P52895 13/20 0.52
APP P05067 3/20 0.39
POLB P06746 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL2850187 0.90 PTGS1 (0.56) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2847133 0.89 KCNH2 (0.53) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL24913685 0.81 KCNH2 (1.00) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2846664 0.81 KCNH2 (1.00) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2847511 0.81 KCNH2 (1.00) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2845480 0.79 PSEN1 (0.50) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2844447 0.72 PTGS1 (0.61) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2841532 0.72 KCNH2 (0.81) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2853878 0.72 KCNH2 (0.81) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2844065 0.71 KCNH2 (0.82) KCNH2PTGS1PTGS2PSEN1PSEN2

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