SCHEMBL2584595

SCHEMBL2584595

C=CCC(=O)N1[C@@H](/C=C/C(=O)OC)CC[C@H]1c1ccc(F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
FFAR2 O15552 1/20 0.32
OPRL1 P41146 2/20 0.32
TP53 P04637 1/20 0.32
HDAC4 P56524 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
MC4R P32245 2/20 0.31
MC3R P41968 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
SCHEMBL2583865 0.92 NTRK1 (0.34) MEN1KMT2AATMPSEN1PSEN2
SCHEMBL2579815 0.89
SCHEMBL4510749 0.88 MEN1 (0.36) MEN1KMT2AOPRL1HDAC4ALDH1A1
SCHEMBL4510755 0.88 MEN1 (0.36) MEN1KMT2AOPRL1HDAC4ALDH1A1
SCHEMBL2578036 0.87
SCHEMBL2585816 0.86 RIPK1 (0.37) KMT2AFFAR2ALDH1A1
SCHEMBL4514527 0.86 ATM (0.35) ATMFFAR2TP53
SCHEMBL4514530 0.86 ATM (0.35) ATMFFAR2TP53
SCHEMBL2585729 0.84 FFAR2 (0.35) FFAR2
SCHEMBL2581259 0.83

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