SCHEMBL31085457

SCHEMBL31085457

NC(=O)CC(CCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.58
▸ NAALAD2 Q9Y3Q0 5/20 0.52
▸ FTO Q9C0B1 7/20 0.52
▸ FOLH1 Q04609 1/20 0.48
▸ NQO1 P15559 1/20 0.47
▸ RORC P51449 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ KEAP1 Q14145 1/20 0.46
▸ NR1H2 P55055 1/20 0.45
▸ MIF P14174 1/20 0.44

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
SCHEMBL29936655 0.86 TTR (0.60) TTRNAALAD2FTOFOLH1NQO1
SCHEMBL23417780 0.85 TTR (0.64) TTRNAALAD2FTOFOLH1NQO1
SCHEMBL31542972 0.85 TTR (0.64) TTRNAALAD2FTOFOLH1NQO1
SCHEMBL31542969 0.85 TTR (0.64) TTRNAALAD2FTOFOLH1NQO1
SCHEMBL25045451 0.83 TTR (0.63) TTRNAALAD2FTOFOLH1NQO1
SCHEMBL27016019 0.83 TTR (0.64) TTRNAALAD2FTOFOLH1NQO1
SCHEMBL23417940 0.82 TTR (0.63) TTRNAALAD2FTOFOLH1NQO1
SCHEMBL26430106 0.82 TTR (0.61) TTRNAALAD2FTOFOLH1NQO1
SCHEMBL20729951 0.82 TTR (0.61) TTRNAALAD2FTOFOLH1NQO1
SCHEMBL27254940 0.81 TTR (0.58) TTRNAALAD2FTOFOLH1NQO1

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
CN-118812631-A Fibroblast activator protein ligand for targeted delivery applications 菲洛谢姆股份公司 2024-10-22 — — CN disclosed
CN-115335370-B Fibroblast activator protein ligand for targeted delivery applications 菲洛谢姆股份公司 2024-08-23 — — CN disclosed
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