SCHEMBL18624613

SCHEMBL18624613

O=C(CCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)ON1C(=O)CCC1=O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 13/20 0.64
▸ CA2 P00918 13/20 0.64
▸ CA9 Q16790 13/20 0.64
▸ CA12 O43570 8/20 0.64
▸ CA14 Q9ULX7 4/20 0.62
▸ CA7 P43166 1/20 0.62
▸ FKBP1A P62942 3/20 0.57
▸ HTR3A P46098 2/20 0.54
▸ PTGER3 P43115 1/20 0.53

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
SCHEMBL15502951 0.92 CA1 (0.63) CA1CA2CA9CA12CA14
SCHEMBL19426705 0.84 CA9 (0.71) CA1CA2CA9CA12CA14
SCHEMBL13678642 0.84 CA9 (0.49) CA1CA2CA9CA12CA14
SCHEMBL24444501 0.84 CA9 (0.72) CA1CA2CA9CA12CA14
SCHEMBL1638181 0.84 CA1 (0.75) CA1CA2CA9CA12CA14
SCHEMBL1688096 0.84 CA9 (0.52) CA1CA2CA9CA12CA14
SCHEMBL29837449 0.84 CA9 (0.52) CA1CA2CA9CA12CA14
SCHEMBL13219607 0.84 CA1 (0.72) CA1CA2CA9CA12CA14
SCHEMBL12678101 0.84 CA9 (0.72) CA1CA2CA9CA12CA14
SCHEMBL17049667 0.83 CA9 (0.74) CA1CA2CA9CA12CA14

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-20170073468-A1 METHOD FOR PREPARING FUNCTIONALIZED POLYMERS FROM POLYMER ALCOHOLS NEKTAR THERAPEUTICS 2017-03-16 — — US disclosed
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