SCHEMBL29936611

SCHEMBL29936611

O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=S)NCCOCCN3C(=O)CCC3=O)cc21

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.59
▸ FTO Q9C0B1 6/20 0.53
▸ NAALAD2 Q9Y3Q0 3/20 0.49
▸ FOLH1 Q04609 1/20 0.49
▸ DRD1 P21728 5/20 0.49
▸ RORC P51449 1/20 0.49
▸ NQO1 P15559 1/20 0.48
▸ JAK2 O60674 1/20 0.47
▸ DRD2 P14416 3/20 0.45
▸ KEAP1 Q14145 1/20 0.45

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
SCHEMBL30200914 0.86 TTR (0.58) TTRFTONAALAD2FOLH1DRD1
SCHEMBL31542972 0.86 TTR (0.64) TTRFTONAALAD2FOLH1DRD1
SCHEMBL23417780 0.86 TTR (0.64) TTRFTONAALAD2FOLH1DRD1
SCHEMBL31542969 0.86 TTR (0.64) TTRFTONAALAD2FOLH1DRD1
SCHEMBL20729951 0.84 TTR (0.61) TTRFTONAALAD2FOLH1DRD1
SCHEMBL27016019 0.84 TTR (0.64) TTRFTONAALAD2FOLH1DRD1
SCHEMBL25045451 0.83 TTR (0.63) TTRFTONAALAD2FOLH1DRD1
SCHEMBL26430106 0.83 TTR (0.61) TTRFTONAALAD2FOLH1DRD1
SCHEMBL23417940 0.83 TTR (0.63) TTRFTONAALAD2FOLH1DRD1
SCHEMBL23417716 0.82 TTR (0.60) TTRFTONAALAD2FOLH1DRD1

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
CN-115335370-A Fibroblast activation protein ligands for targeted delivery applications 菲洛谢姆股份公司 2022-11-11 — — CN disclosed
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