SCHEMBL2587846

SCHEMBL2587846

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.35
PSEN1 P49768 4/20 0.33
PSEN2 P49810 4/20 0.33
APH1B Q8WW43 4/20 0.33
NCSTN Q92542 4/20 0.33
APH1A Q96BI3 4/20 0.33
PSENEN Q9NZ42 4/20 0.33
NR1H4 Q96RI1 1/20 0.32
HCRTR2 O43614 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
USP30 Q70CQ3 1/20 0.31
P2RX7 Q99572 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL2585656 1.00 FFAR2 (0.35) FFAR2PSEN1PSEN2APH1BNCSTN
SCHEMBL2584839 0.90 RIPK1 (0.30)
SCHEMBL2581022 0.90 RIPK1 (0.30)
SCHEMBL4509815 0.88 FFAR2 (0.34) FFAR2PSEN1PSEN2APH1BNCSTN
SCHEMBL4509140 0.88 FFAR2 (0.34) FFAR2PSEN1PSEN2APH1BNCSTN
SCHEMBL4509143 0.88 FFAR2 (0.34) FFAR2PSEN1PSEN2APH1BNCSTN
SCHEMBL2584668 0.87 SLC6A2 (0.36) FFAR2ATM
SCHEMBL2584669 0.87 SLC6A2 (0.36) FFAR2ATM
SCHEMBL2578423 0.84 FFAR2 (0.39) FFAR2PSEN1PSEN2APH1BNCSTN
SCHEMBL4087759 0.82 FFAR2 (0.37) FFAR2USP30

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