SCHEMBL29936655

SCHEMBL29936655

NC(=O)CCC(=O)NCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.60
▸ FTO Q9C0B1 8/20 0.55
▸ KEAP1 Q14145 1/20 0.53
▸ NAALAD2 Q9Y3Q0 2/20 0.51
▸ MIF P14174 1/20 0.49
▸ NR1H2 P55055 1/20 0.49
▸ NQO1 P15559 1/20 0.49
▸ RORC P51449 1/20 0.49
▸ JAK2 O60674 1/20 0.48
▸ FOLH1 Q04609 1/20 0.48
▸ P2RY14 Q15391 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ SMAD3 P84022 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
SCHEMBL26430106 0.88 TTR (0.61) TTRFTOKEAP1NAALAD2MIF
SCHEMBL15298976 0.88 TTR (0.60) TTRFTOKEAP1NAALAD2MIF
SCHEMBL23417780 0.88 TTR (0.64) TTRFTOKEAP1NAALAD2MIF
SCHEMBL31542972 0.88 TTR (0.64) TTRFTOKEAP1NAALAD2MIF
SCHEMBL31542969 0.88 TTR (0.64) TTRFTOKEAP1NAALAD2MIF
SCHEMBL27016019 0.87 TTR (0.64) TTRFTOKEAP1NAALAD2MIF
SCHEMBL23417940 0.86 TTR (0.63) TTRFTOKEAP1NAALAD2MIF
SCHEMBL31085457 0.86 TTR (0.58) TTRFTOKEAP1NAALAD2MIF
SCHEMBL22542526 0.85 TTR (0.56) TTRFTOKEAP1NAALAD2MIF
SCHEMBL24335633 0.85 TTR (0.54) TTRFTOKEAP1NAALAD2MIF

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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