SCHEMBL2575503

SCHEMBL2575503

COC(=O)CCCC[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 12)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 3/20 0.39
FFAR2 O15552 1/20 0.38
ALDH1A1 P00352 1/20 0.37
DPP4 P27487 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
TRPV3 Q8NET8 2/20 0.34
HCRTR2 O43614 1/20 0.34
MMP13 P45452 1/20 0.34
TBXA2R P21731 1/20 0.33
PTGER4 P35408 1/20 0.33
NTRK1 P04629 3/20 0.33
TLR7 Q9NYK1 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
SCHEMBL2584185 1.00 PTGER2 (0.39) PTGER2FFAR2ALDH1A1DPP4GPR119
SCHEMBL2588094 0.93 FFAR2 (0.39) FFAR2ALDH1A1DPP4GPR119HCRTR2
SCHEMBL2585262 0.93 FFAR2 (0.39) FFAR2ALDH1A1DPP4GPR119HCRTR2
SCHEMBL2587832 0.88 FFAR2 (0.42) PTGER2FFAR2ALDH1A1HCRTR2TBXA2R
SCHEMBL2351859 0.82 FFAR2 (0.43) FFAR2DPP4GPR119TRPV3MMP13
SCHEMBL2588178 0.81 FFAR2 (0.37) FFAR2DPP4GPR119HCRTR2MMP13
SCHEMBL2585724 0.81 FFAR2 (0.37) FFAR2DPP4GPR119HCRTR2MMP13
SCHEMBL4501609 0.80 FFAR2 (0.44) FFAR2ALDH1A1HCRTR2
SCHEMBL2584676 0.80 FFAR2 (0.44) FFAR2ALDH1A1HCRTR2
SCHEMBL2586267 0.79 FFAR2 (0.45) FFAR2ALDH1A1DPP4GPR119MMP13

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