SCHEMBL2587429

SCHEMBL2587429

C=CCC(=O)N1[C@@H](/C=C/C(=O)OCC)CC[C@H]1c1c(F)cc(F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.34
XPO1 O14980 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 3/20 0.32
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4506176 0.86 XPO1 (0.36) TDP1XPO1ALDH1A1L3MBTL1LMNA
SCHEMBL4514524 0.86 XPO1 (0.36) TDP1XPO1ALDH1A1L3MBTL1LMNA
SCHEMBL2581475 0.86 L3MBTL1 (0.32) TDP1XPO1ALDH1A1L3MBTL1
SCHEMBL3626367 0.86 L3MBTL1 (0.32) TDP1XPO1ALDH1A1L3MBTL1
SCHEMBL4497699 0.85 MEN1 (0.32)
SCHEMBL4497697 0.85 MEN1 (0.32)
SCHEMBL2586542 0.82 DPP4 (0.34) TDP1XPO1ALDH1A1L3MBTL1
SCHEMBL2585729 0.78 FFAR2 (0.35)
SCHEMBL2587432 0.78 RIPK1 (0.33)
SCHEMBL2587436 0.78 RIPK1 (0.33)

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