SCHEMBL2587432

SCHEMBL2587432

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL2587436 1.00 RIPK1 (0.33) RIPK1MEN1KMT2A
SCHEMBL2581480 0.85 RIPK1 (0.31) RIPK1
SCHEMBL2581477 0.85 RIPK1 (0.31) RIPK1
SCHEMBL4497699 0.81 MEN1 (0.32) MEN1KMT2A
SCHEMBL4497697 0.81 MEN1 (0.32) MEN1KMT2A
SCHEMBL2587429 0.78 TDP1 (0.34)
SCHEMBL2585730 0.75 FFAR2 (0.34) RIPK1
SCHEMBL2585734 0.75 FFAR2 (0.34) RIPK1
SCHEMBL2584599 0.74 MEN1 (0.35) MEN1KMT2A
SCHEMBL2584598 0.74 MEN1 (0.35) MEN1KMT2A

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