SCHEMBL29861816

SCHEMBL29861816

O=C(O)CCc1ccc(SC(=O)CCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.56
▸ FTO Q9C0B1 6/20 0.50
▸ NAALAD2 Q9Y3Q0 3/20 0.49
▸ KEAP1 Q14145 1/20 0.48
▸ NQO1 P15559 1/20 0.48
▸ RORC P51449 1/20 0.46
▸ FOLH1 Q04609 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ DRD2 P14416 3/20 0.44
▸ DRD1 P21728 3/20 0.44
▸ MIF P14174 1/20 0.43
▸ NR1H2 P55055 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL23458553 1.00 TTR (0.56) TTRFTONAALAD2KEAP1NQO1
SCHEMBL24335633 0.94 TTR (0.54) TTRFTONAALAD2KEAP1NQO1
SCHEMBL23458549 0.89 TTR (0.49) TTRFTONAALAD2KEAP1NQO1
SCHEMBL29861584 0.89 TTR (0.49) TTRFTONAALAD2KEAP1NQO1
SCHEMBL25046527 0.89 TTR (0.55) TTRFTONAALAD2KEAP1NQO1
SCHEMBL15298976 0.84 TTR (0.60) TTRFTONAALAD2KEAP1NQO1
SCHEMBL27016019 0.82 TTR (0.64) TTRFTONAALAD2KEAP1NQO1
SCHEMBL12754623 0.82 FTO (0.65) TTRFTONAALAD2KEAP1NQO1
SCHEMBL23417940 0.81 TTR (0.63) TTRFTONAALAD2KEAP1NQO1
SCHEMBL26430106 0.81 TTR (0.61) TTRFTONAALAD2KEAP1NQO1

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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