SCHEMBL2588032

SCHEMBL2588032

C=CCC(=O)N1[C@@H](/C=C(\C)C(=O)O)CC[C@H]1c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.38
RIPK1 Q13546 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
ADAM17 P78536 2/20 0.35
KIF11 P52732 1/20 0.34
PDE5A O76074 1/20 0.34
CHRNA7 P36544 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33

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
SCHEMBL2588033 1.00 FFAR2 (0.38) FFAR2RIPK1MAOAMAOBADAM17
SCHEMBL2585819 0.88 RIPK1 (0.40) FFAR2RIPK1MAOAMAOBPDE5A
SCHEMBL2585817 0.88 RIPK1 (0.40) FFAR2RIPK1MAOAMAOBPDE5A
SCHEMBL2583129 0.87 MDM2 (0.34) FFAR2MDM2
SCHEMBL2583133 0.87 MDM2 (0.34) FFAR2MDM2
SCHEMBL4502256 0.83 FFAR2 (0.38) FFAR2RIPK1ADAM17PDE5ACHRNA7
SCHEMBL4502251 0.83 FFAR2 (0.38) FFAR2RIPK1ADAM17PDE5ACHRNA7
SCHEMBL2585730 0.81 FFAR2 (0.34) FFAR2RIPK1
SCHEMBL2585734 0.81 FFAR2 (0.34) FFAR2RIPK1
SCHEMBL2588030 0.80 FFAR2 (0.39) FFAR2RIPK1TP53MDM2ALDH1A1

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