SCHEMBL2583867

SCHEMBL2583867

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HCRTR2 O43614 1/20 0.33
JAK2 O60674 9/20 0.33
RIPK1 Q13546 1/20 0.32
AGTR2 P50052 2/20 0.32
ALDH1A1 P00352 1/20 0.31
ATM Q13315 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
SCHEMBL2583870 1.00 NTRK1 (0.33) NTRK1MEN1KMT2AHCRTR2JAK2
SCHEMBL2584598 0.92 MEN1 (0.35) MEN1KMT2AHCRTR2
SCHEMBL2584599 0.92 MEN1 (0.35) MEN1KMT2AHCRTR2
SCHEMBL2579819 0.89
SCHEMBL2579817 0.89
SCHEMBL2578038 0.87 PKM (0.30)
SCHEMBL2578040 0.87 PKM (0.30)
SCHEMBL2585817 0.84 RIPK1 (0.40) HCRTR2RIPK1ALDH1A1
SCHEMBL2585819 0.84 RIPK1 (0.40) HCRTR2RIPK1ALDH1A1
SCHEMBL4520455 0.83 MEN1 (0.34) NTRK1MEN1KMT2AJAK2RIPK1

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