SCHEMBL2849965

SCHEMBL2849965

COC(=O)Cc1ccc(C(c2ccc(F)cc2)N2CCC(C(F)(F)F)CC2)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.45
SMAD3 P84022 2/20 0.42
P4HB P07237 4/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
KCNH2 Q12809 2/20 0.41
MGLL Q99685 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
MAPT P10636 1/20 0.40
TRPA1 O75762 2/20 0.39
HTR7 P34969 1/20 0.37
GAA P10253 2/20 0.37
CNR1 P21554 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
SCHEMBL2842842 0.86 P4HB (0.54) SMAD3P4HBGAAALDH1A1GFER
SCHEMBL2847508 0.85 KCNH2 (0.39) KDM4DP4HBDPP8DPP7KCNH2
SCHEMBL7804800 0.76 KCNH2 (0.37) KDM4DP4HBDPP8DPP7KCNH2
SCHEMBL2846384 0.74 KCNH2 (0.56) DPP8DPP7KCNH2PTGS1PTGS2
SCHEMBL2847936 0.73 KCNH2 (0.55) P4HBKCNH2PTGS1PTGS2PSEN1
SCHEMBL2848171 0.73 P4HB (0.42) SMAD3P4HBKCNH2PTGS1PTGS2
SCHEMBL2878111 0.73 KCNH2 (0.62) DPP8DPP7KCNH2PTGS1PTGS2
SCHEMBL2846649 0.73 SMAD3 (0.50) KDM4DSMAD3P4HBKCNH2PTGS1
SCHEMBL2850061 0.71 KCNH2 (0.55) KDM4DSMAD3P4HBKCNH2MGLL
SCHEMBL2844085 0.70 SMAD3 (0.44) KDM4DSMAD3P4HBKCNH2PTGS1

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 2 patents. 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
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed