SCHEMBL7218820

SCHEMBL7218820

O=C(O)C=C(CCCS(=O)(=O)O)C(=O)O.[Na]

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
APP P05067 1/20 0.35
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33

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
SCHEMBL3175995 0.98 KDM4E (0.43) KDM4ETSHRAPPPTGS1PDE4A
SCHEMBL3176009 0.98 KDM4E (0.43) KDM4ETSHRAPPPTGS1PDE4A
SCHEMBL7218811 0.96 KDM4E (0.42) KDM4ETSHRAPPPTGS1PDE4A
SCHEMBL8402392 0.86 KDM4E (0.46) KDM4ETSHRAPPPTGS1PDE4A
SCHEMBL8402396 0.86 KDM4E (0.46) KDM4ETSHRAPPPTGS1PDE4A
SCHEMBL10932417 0.79 TSHR (0.56) KDM4ETSHR
SCHEMBL3450780 0.77 APP (0.35) APPPTGS1PDE4A
SCHEMBL9435681 0.77 TSHR (0.54) KDM4ETSHRPDE4A
SCHEMBL19745932 0.77 TSHR (0.54) KDM4ETSHRPDE4A
SCHEMBL7644033 0.77 GPR84 (0.44) TSHRAPPPDE4A

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
US-6620470-B2 Ink absorptive laver with void structure; hydrophillic binder and inorganic particle; cockling resistance, bleeding resistance, high image density, surface smoothness KONICA CORPORATION (JP) 2003-09-16 US disclosed
US-20020045035-A1 Ink jet recording media KONICA CORPORATION (JP) 2002-04-18 US disclosed