SCHEMBL2584598

SCHEMBL2584598

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HCRTR2 O43614 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MC4R P32245 8/20 0.32
MC1R Q01726 2/20 0.32
MC5R P33032 1/20 0.32
MC3R P41968 1/20 0.32
HDAC4 P56524 2/20 0.31
HDAC8 Q9BY41 1/20 0.31
KCNK3 O14649 1/20 0.31
MTNR1B P49286 1/20 0.31
FFAR2 O15552 1/20 0.31
OPRL1 P41146 1/20 0.31
TP53 P04637 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
SCHEMBL2584599 1.00 MEN1 (0.35) MEN1KMT2AHCRTR2KDM4EMC4R
SCHEMBL2583870 0.92 NTRK1 (0.33) MEN1KMT2AHCRTR2
SCHEMBL2583867 0.92 NTRK1 (0.33) MEN1KMT2AHCRTR2
SCHEMBL2579819 0.89
SCHEMBL2579817 0.89
SCHEMBL2578040 0.87 PKM (0.30)
SCHEMBL2578038 0.87 PKM (0.30)
SCHEMBL2585819 0.86 RIPK1 (0.40) HCRTR2KDM4EFFAR2
SCHEMBL2585817 0.86 RIPK1 (0.40) HCRTR2KDM4EFFAR2
SCHEMBL4510749 0.83 MEN1 (0.36) MEN1KMT2AKDM4EMC4RMC3R

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