SCHEMBL2575487

SCHEMBL2575487

COC(=O)/C=C/[C@H]1CC[C@@H](c2ccc(F)nc2F)N1C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.32
SUV39H2 Q9H5I1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
JAK2 O60674 2/20 0.30
JAK3 P52333 2/20 0.30
PTK2 Q05397 1/20 0.30
JAK1 P23458 3/20 0.30
HDAC4 P56524 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
TYK2 P29597 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
SCHEMBL4517117 0.87 FFAR2 (0.30)
SCHEMBL4517115 0.87 FFAR2 (0.30)
SCHEMBL2577892 0.84 GPR119 (0.35) NTRK1ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL2588658 0.83 NTRK1 (0.38) NTRK1
SCHEMBL2584159 0.82 DPP4 (0.36) NTRK1ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL2581259 0.82
SCHEMBL2588804 0.81 RIPK1 (0.44) NTRK1ALDH1A1JAK2
SCHEMBL2584042 0.81 NTRK1 (0.45) NTRK1JAK2
SCHEMBL2583332 0.81 RIPK1 (0.37) NTRK1CHRM2CHRM1CHRM3
SCHEMBL2581640 0.80 FFAR2 (0.39) NTRK1ALDH1A1JAK2JAK3PTK2

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