SCHEMBL2844075

SCHEMBL2844075

CC1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc(C(=O)O)cc2O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.58
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
PSEN1 P49768 1/20 0.58
PSEN2 P49810 1/20 0.58
APH1B Q8WW43 1/20 0.58
NCSTN Q92542 1/20 0.58
APH1A Q96BI3 1/20 0.58
PSENEN Q9NZ42 1/20 0.58
MIF P14174 1/20 0.50
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CACNA1A O00555 2/20 0.40
CACNA2D1 P54289 2/20 0.40
CACNB1 Q02641 2/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1C Q13936 1/20 0.40
P4HB P07237 1/20 0.40
KDM4D Q6B0I6 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2848825 0.89 KCNH2 (0.53) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2850142 0.88 KCNH2 (0.72) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2846637 0.78 KCNH2 (0.64) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2879099 0.77 KCNH2 (0.66) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2847912 0.75 KCNH2 (0.50) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2852677 0.74 KCNH2 (0.62) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL24913685 0.73 KCNH2 (1.00) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2847511 0.73 KCNH2 (1.00) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2872891 0.71 KCNH2 (0.73) KCNH2PTGS1PTGS2PSEN1PSEN2
SCHEMBL2846415 0.71 KCNH2 (0.73) 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 disclosed