SCHEMBL2586542

SCHEMBL2586542

CCOC(=O)/C=C/[C@H]1CC[C@@H](c2c(F)cc(F)cc2F)N1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34
XPO1 O14980 2/20 0.34
RIPK1 Q13546 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GPR119 Q8TDV5 2/20 0.32
ALDH1A1 P00352 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
CHRM1 P11229 2/20 0.32
GLA P06280 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM3 P20309 1/20 0.30
ATM Q13315 1/20 0.30
NTRK1 P04629 1/20 0.30

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
SCHEMBL4514524 0.86 XPO1 (0.36) DPP4XPO1TDP1L3MBTL1ALDH1A1
SCHEMBL4506176 0.86 XPO1 (0.36) DPP4XPO1TDP1L3MBTL1ALDH1A1
SCHEMBL2587429 0.82 TDP1 (0.34) XPO1TDP1L3MBTL1ALDH1A1
SCHEMBL2583332 0.77 RIPK1 (0.37) DPP4RIPK1CHRM1CHRM2CHRM3
SCHEMBL24739173 0.77 CHRM1 (0.38) TDP1L3MBTL1ALDH1A1CHRM1CHRM2
SCHEMBL2583441 0.76 DPP4 (0.38) DPP4RIPK1GPR119CHRM1CHRM2
SCHEMBL2588658 0.76 NTRK1 (0.38) GPR119ATMNTRK1
SCHEMBL2584159 0.74 DPP4 (0.36) DPP4GPR119ALDH1A1CHRM1CHRM2
SCHEMBL2584042 0.74 NTRK1 (0.45) GPR119JAK2NTRK1
SCHEMBL2584569 0.73 FFAR2 (0.39) DPP4RIPK1GPR119ALDH1A1JAK2

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