SCHEMBL2583865

SCHEMBL2583865

C=CCC(=O)N1[C@@H](/C=C/C(=O)OC)CC[C@H]1c1cc(F)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 2/20 0.34
HCRTR2 O43614 4/20 0.33
JAK2 O60674 3/20 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
SCHEMBL2584595 0.92 MEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2579815 0.89
SCHEMBL4520455 0.88 MEN1 (0.34) NTRK1MEN1KMT2AJAK2
SCHEMBL4520448 0.88 MEN1 (0.34) NTRK1MEN1KMT2AJAK2
SCHEMBL2578036 0.87
SCHEMBL4513904 0.86 MEN1 (0.37) NTRK1MEN1KMT2AATMHCRTR2
SCHEMBL4513907 0.86 MEN1 (0.37) NTRK1MEN1KMT2AATMHCRTR2
SCHEMBL2585816 0.84 RIPK1 (0.37) NTRK1KMT2AJAK2
SCHEMBL2585729 0.84 FFAR2 (0.35)
SCHEMBL2581259 0.82

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