SCHEMBL2842871

SCHEMBL2842871

CC(C)C[C@H](C(=O)O)c1ccc(C(c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.64
PSEN1 P49768 2/20 0.64
PSEN2 P49810 2/20 0.64
APH1B Q8WW43 2/20 0.64
NCSTN Q92542 2/20 0.64
APH1A Q96BI3 2/20 0.64
PSENEN Q9NZ42 2/20 0.64
PTGS1 P23219 1/20 0.64
PTGS2 P35354 1/20 0.64
APP P05067 1/20 0.47
AKR1C3 P42330 5/20 0.44
AKR1C2 P52895 5/20 0.44
P4HB P07237 7/20 0.41
CCR2 P41597 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C1 Q04828 1/20 0.38
CACNA1A O00555 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
SCHEMBL2849902 1.00 KCNH2 (0.64) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2844174 1.00 KCNH2 (0.64) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2844177 0.94 KCNH2 (0.56) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL7808001 0.92 KCNH2 (0.59) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2850416 0.90 PSEN1 (0.68) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2853878 0.88 KCNH2 (0.81) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2841532 0.88 KCNH2 (0.81) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2845963 0.86 KCNH2 (0.47) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL2850080 0.86 KCNH2 (0.47) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL7807296 0.85 KCNH2 (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