SCHEMBL2585262

SCHEMBL2585262

COC(=O)CC[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 0.37
ALDH1A1 P00352 2/20 0.35
HCRTR2 O43614 1/20 0.35
MMP13 P45452 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
CETP P11597 1/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
TLR7 Q9NYK1 1/20 0.34
NTRK1 P04629 3/20 0.34

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
SCHEMBL2588094 1.00 FFAR2 (0.39) FFAR2DPP4ALDH1A1HCRTR2MMP13
SCHEMBL2575503 0.93 PTGER2 (0.39) FFAR2DPP4ALDH1A1HCRTR2MMP13
SCHEMBL2584185 0.93 PTGER2 (0.39) FFAR2DPP4ALDH1A1HCRTR2MMP13
SCHEMBL2584676 0.87 FFAR2 (0.44) FFAR2ALDH1A1HCRTR2
SCHEMBL4501609 0.87 FFAR2 (0.44) FFAR2ALDH1A1HCRTR2
SCHEMBL2351859 0.85 FFAR2 (0.43) FFAR2DPP4MMP13GPR119
SCHEMBL2588178 0.83 FFAR2 (0.37) FFAR2DPP4HCRTR2MMP13GPR119
SCHEMBL2585724 0.83 FFAR2 (0.37) FFAR2DPP4HCRTR2MMP13GPR119
SCHEMBL2586267 0.81 FFAR2 (0.45) FFAR2DPP4ALDH1A1MMP13GPR119
SCHEMBL2587832 0.80 FFAR2 (0.42) FFAR2ALDH1A1HCRTR2

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