SCHEMBL583703

SCHEMBL583703

O=C(O)C(=O)NCCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
PTGS1 P23219 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTT P42858 2/20 0.39
CAMK2A Q9UQM7 1/20 0.38
EPHX2 P34913 1/20 0.37
KDM5B Q9UGL1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
CCR3 P51677 1/20 0.35
POLB P06746 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL9489754 0.86 L3MBTL1 (0.53) L3MBTL1CA1CA2CA12CA9
SCHEMBL583493 0.83
SCHEMBL2175844 0.80 KDM5B (0.47) KDM5BMAPK1HIF1A
Methacrylic Acid SCHEMBL4419898 0.78 L3MBTL1 (0.41) L3MBTL1CA1CA2CA12CA9
SCHEMBL629320 0.78
SCHEMBL584355 0.77 EPHX1 (0.54) HTTEPHX2
SCHEMBL13589542 0.77 KDM4E (0.44) L3MBTL1CA1CA2CA12CA9
SCHEMBL28254961 0.77 PLA2G4A (0.55) HTTEPHX2MAPK1
SCHEMBL4697573 0.77 GAA (0.47) L3MBTL1CA1CA2CA12CA9
SCHEMBL9702900 0.77 KDM4E (0.54) HTTPOLBKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168957-B1 Alkyl-substituted tetrahydropyranes as aromatic materials SYMRISE AG (DE) 2012-02-15 EP claimed
EP-3170662-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2017-05-24 EP disclosed