SCHEMBL13310682

SCHEMBL13310682

CC(C)(C)CC(=O)N1[C@H](C(=O)O)CC[C@H]1c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 5/20 0.49
ACE P12821 2/20 0.46
MME P08473 1/20 0.46
KCNH2 Q12809 2/20 0.43
S1PR5 Q9H228 1/20 0.43
PPARG P37231 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL2837206 0.85 FFAR2 (0.54) FFAR2KCNH2S1PR5MAOB
SCHEMBL2832359 0.85 FFAR2 (0.54) FFAR2KCNH2S1PR5MAOB
SCHEMBL2835415 0.85 FFAR2 (0.54) FFAR2KCNH2S1PR5MAOB
SCHEMBL311160 0.85 FFAR2 (0.49) FFAR2KCNH2S1PR5PPARG
SCHEMBL840904 0.85 FFAR2 (0.49) FFAR2KCNH2S1PR5PPARG
SCHEMBL841242 0.85 FFAR2 (0.49) FFAR2KCNH2S1PR5PPARG
SCHEMBL310672 0.81 KCNH2 (0.59) FFAR2KCNH2S1PR5PPARGKDM4E
SCHEMBL311548 0.81 KCNH2 (0.59) FFAR2KCNH2S1PR5PPARGKDM4E
SCHEMBL310922 0.81 KCNH2 (0.59) FFAR2KCNH2S1PR5PPARGKDM4E
SCHEMBL483621 0.81 KCNH2 (0.59) FFAR2KCNH2S1PR5PPARGKDM4E

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
EP-1943216-B1 PROLINAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS GLAXO GROUP LTD (GB) 2010-06-30 EP disclosed