SCHEMBL2581025

SCHEMBL2581025

C=CCC(=O)N1[C@@H](/C=C(\C)C(=O)O)CCC[C@H]1c1cc(F)c(F)c(F)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.31
PKM P14618 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
SCHEMBL2584841 1.00 RIPK1 (0.31) RIPK1PKM
SCHEMBL2581029 1.00 RIPK1 (0.31) RIPK1PKM
SCHEMBL2585660 0.90 FFAR2 (0.35) PKM
SCHEMBL2587848 0.90 FFAR2 (0.35) PKM
SCHEMBL2585664 0.90 FFAR2 (0.35) PKM
SCHEMBL2581657 0.84
SCHEMBL2585796 0.84
SCHEMBL2581653 0.84
SCHEMBL2585730 0.84 FFAR2 (0.34) RIPK1
SCHEMBL2585734 0.84 FFAR2 (0.34) RIPK1

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