SCHEMBL2581640

SCHEMBL2581640

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.39
DPP4 P27487 1/20 0.35
MMP13 P45452 1/20 0.35
KDM1A O60341 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NTRK1 P04629 1/20 0.34
ALDH1A1 P00352 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33
HCRTR2 O43614 1/20 0.33
PDE4B Q07343 1/20 0.33
RIPK1 Q13546 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL2584569 1.00 FFAR2 (0.39) FFAR2DPP4MMP13KDM1AHDAC8
SCHEMBL2588804 0.87 RIPK1 (0.44) NTRK1ALDH1A1JAK2RIPK1GPR119
SCHEMBL2583332 0.86 RIPK1 (0.37) FFAR2DPP4MMP13KDM1AHDAC8
SCHEMBL3628133 0.86 STS (0.39) FFAR2RIPK1
SCHEMBL2581199 0.86 STS (0.39) FFAR2RIPK1
SCHEMBL4087600 0.86 FFAR2 (0.44) FFAR2HCRTR2
SCHEMBL4087604 0.86 FFAR2 (0.44) FFAR2HCRTR2
SCHEMBL4501818 0.86 FFAR2 (0.44) FFAR2HCRTR2
SCHEMBL4501814 0.86 FFAR2 (0.44) FFAR2HCRTR2
SCHEMBL2584159 0.85 DPP4 (0.36) DPP4MMP13NTRK1ALDH1A1GPR119

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