SCHEMBL5086273

SCHEMBL5086273

O=C1CCC(=O)N1S(=O)(=O)O.O=C1CCC(=O)N1S(=O)(=O)O.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 5/20 0.41
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL4226221 1.00 PARL (0.41) PARLCA12CA1CA2CA9
SCHEMBL36368 0.97 PARL (0.43) PARLCA12CA1CA2CA9
SCHEMBL7736371 0.94 PARL (0.41) PARLCA12CA1CA2CA9
SCHEMBL29748565 0.94 PARL (0.46) PARLCA12CA1CA2CA9
Propionic Acid SCHEMBL22749330 0.80 FFAR3 (0.40) PARL
Octanedioate SCHEMBL4025944 0.77 TSHR (0.44)
Tetraxetan SCHEMBL3797845 0.76 HSD17B10 (0.40) PARL
SCHEMBL29185915 0.76 PARL (0.40) PARL
SCHEMBL11288682 0.73 PARL (0.46) PARLCA12CA1CA2CA9
SCHEMBL28981837 0.72 PARL (0.48) PARLCA12CA1CA2CA9

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-1945144-A2 METHOD OF USING AND PRODUCING TROPOELASTIN AND TROPOELASTIN BIOMATERIALS Gregory, Kenton W. (US) 2008-07-23 EP disclosed
WO-2007048115-A2 METHOD OF USING AND PRODUCING TROPOELASTIN AND TROPOELASTIN BIOMATERIALS GREGORY KENTON W (US) 2007-04-26 WO disclosed