SCHEMBL2585660

SCHEMBL2585660

C=CCC(=O)N1[C@@H](/C=C(/C)C(=O)O)CCC[C@H]1c1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.35
HCRTR2 O43614 1/20 0.33
USP30 Q70CQ3 1/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
PKM P14618 1/20 0.31
KDM1A O60341 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ADAMTS5 Q9UNA0 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
SCHEMBL2585664 1.00 FFAR2 (0.35) FFAR2HCRTR2USP30PSEN1PSEN2
SCHEMBL2587848 1.00 FFAR2 (0.35) FFAR2HCRTR2USP30PSEN1PSEN2
SCHEMBL2581025 0.90 RIPK1 (0.31) PKM
SCHEMBL2581029 0.90 RIPK1 (0.31) PKM
SCHEMBL2584841 0.90 RIPK1 (0.31) PKM
SCHEMBL4509815 0.84 FFAR2 (0.34) FFAR2USP30PSEN1PSEN2APH1B
SCHEMBL4509140 0.84 FFAR2 (0.34) FFAR2USP30PSEN1PSEN2APH1B
SCHEMBL4509143 0.84 FFAR2 (0.34) FFAR2USP30PSEN1PSEN2APH1B
SCHEMBL4509292 0.83 FFAR2 (0.43) FFAR2USP30PSEN1PSEN2APH1B
SCHEMBL2585817 0.81 RIPK1 (0.40) FFAR2HCRTR2PKM

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