SCHEMBL2585724

SCHEMBL2585724

COC(=O)/C=C/CC[C@@H]1CC[C@H](c2ccc(F)c(F)c2)N1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.37
DPP4 P27487 1/20 0.35
KDM1A O60341 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
MMP13 P45452 1/20 0.33
HCRTR2 O43614 1/20 0.33
JAK1 P23458 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
NTRK1 P04629 3/20 0.32
TLR7 Q9NYK1 1/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
CPB2 Q96IY4 1/20 0.32

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
SCHEMBL2588178 1.00 FFAR2 (0.37) FFAR2DPP4KDM1AHDAC8HDAC6
SCHEMBL4512679 0.88 FFAR2 (0.41) FFAR2NR1H4HCRTR2PSEN1PSEN2
SCHEMBL4512672 0.88 FFAR2 (0.41) FFAR2NR1H4HCRTR2PSEN1PSEN2
SCHEMBL4501421 0.88 FFAR2 (0.41) FFAR2NR1H4HCRTR2PSEN1PSEN2
SCHEMBL4501426 0.88 FFAR2 (0.41) FFAR2NR1H4HCRTR2PSEN1PSEN2
SCHEMBL2588094 0.83 FFAR2 (0.39) FFAR2DPP4MMP13HCRTR2GPR119
SCHEMBL2585262 0.83 FFAR2 (0.39) FFAR2DPP4MMP13HCRTR2GPR119
SCHEMBL2581640 0.82 FFAR2 (0.39) FFAR2DPP4KDM1AHDAC8HDAC6
SCHEMBL2584569 0.82 FFAR2 (0.39) FFAR2DPP4KDM1AHDAC8HDAC6
SCHEMBL2584185 0.81 PTGER2 (0.39) FFAR2DPP4MMP13HCRTR2GPR119

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
US-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US disclosed