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SCHEMBL29861448

SCHEMBL29861448

O=C(OCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)Oc1ccc2cc(C(=O)ON3C(=O)CCC3=O)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.51
▸ RORC P51449 1/20 0.46
▸ NQO1 P15559 1/20 0.45
▸ FTO Q9C0B1 5/20 0.45
▸ NAALAD2 Q9Y3Q0 3/20 0.44
▸ FOLH1 Q04609 1/20 0.44
▸ MIF P14174 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ KEAP1 Q14145 1/20 0.41
▸ DRD1 P21728 2/20 0.41
▸ P2RY14 Q15391 1/20 0.40
▸ MAP1LC3B Q9GZQ8 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL23458566 1.00 TTR (0.51) TTRRORCNQO1FTONAALAD2
SCHEMBL23458544 0.91 TTR (0.49) TTRRORCNQO1FTONAALAD2
SCHEMBL29861565 0.91 TTR (0.49) TTRRORCNQO1FTONAALAD2
SCHEMBL29861238 0.89 TTR (0.59) TTRRORCNQO1FTONAALAD2
SCHEMBL23458565 0.89 TTR (0.59) TTRRORCNQO1FTONAALAD2
SCHEMBL25045481 0.86 TTR (0.53) TTRRORCNQO1FTONAALAD2
SCHEMBL29468053 0.85 TTR (0.62) TTRRORCNQO1FTONAALAD2
SCHEMBL23476626 0.85 TTR (0.62) TTRRORCNQO1FTONAALAD2
SCHEMBL25046377 0.84 TTR (0.58) TTRRORCNQO1FTONAALAD2
SCHEMBL30200914 0.83 TTR (0.58) TTRRORCNQO1FTONAALAD2

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
EP-4069311-A1 REACTIVE CONJUGATES Debiopharm Research & Manufacturing SA (CH) 2022-10-12 — — EP disclosed
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