SCHEMBL11728443

SCHEMBL11728443

O=C(O)C(Oc1ccccc1)Oc1ccc(C2CCNc3ccccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
MAPK14 Q16539 1/20 0.37
KCNH2 Q12809 3/20 0.34
SCN3A Q9NY46 2/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
BTK Q06187 3/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL11726609 0.93 SLC6A2 (0.40) PPARGPPARASLC6A2SLC6A4SLC6A3
SCHEMBL11750925 0.87 CYP1A2 (0.48) MAPK1MAPK14KCNH2SCN3APPARG
SCHEMBL11727800 0.87 L3MBTL1 (0.41) MAPK1MAPK14KCNH2SCN3ASLC6A2
SCHEMBL11747843 0.86 KDM4E (0.41) MAPK1MAPK14KCNH2SCN3APOLB
SCHEMBL11747404 0.81 MEN1 (0.42) PPARGPPARASLC6A2SLC6A4SLC6A3
SCHEMBL11751982 0.81 AGTR2 (0.37) MAPK1MAPK14KCNH2SCN3APPARG
SCHEMBL11749562 0.79 MEN1 (0.41) PPARGPPARASLC6A2SLC6A4SLC6A3
SCHEMBL11755837 0.79 KCNH2 (0.33) KCNH2SCN3ASLC6A2SLC6A4SLC6A3
SCHEMBL11755415 0.78 MTNR1A (0.34) MAPK1MAPK14KCNH2SCN3ABTK
SCHEMBL11749123 0.77 KCNH2 (0.36) MAPK1MAPK14KCNH2SCN3ASLC6A2

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-4051170-A Diphenoxyacetic acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 US disclosed