SCHEMBL24335068

SCHEMBL24335068

CCOC(=O)OCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.62
▸ FTO Q9C0B1 6/20 0.59
▸ NAALAD2 Q9Y3Q0 3/20 0.51
▸ RORC P51449 1/20 0.49
▸ FOLH1 Q04609 1/20 0.49
▸ NQO1 P15559 1/20 0.49
▸ KEAP1 Q14145 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ DRD1 P21728 4/20 0.46
▸ DRD2 P14416 3/20 0.46
▸ NR1H2 P55055 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
SCHEMBL25045451 0.94 TTR (0.63) TTRFTONAALAD2RORCFOLH1
SCHEMBL25046377 0.88 TTR (0.58) TTRFTONAALAD2RORCFOLH1
SCHEMBL27016019 0.88 TTR (0.64) TTRFTONAALAD2RORCFOLH1
SCHEMBL23417940 0.87 TTR (0.63) TTRFTONAALAD2RORCFOLH1
SCHEMBL29468053 0.87 TTR (0.62) TTRFTONAALAD2RORCFOLH1
SCHEMBL23476626 0.87 TTR (0.62) TTRFTONAALAD2RORCFOLH1
SCHEMBL31542969 0.87 TTR (0.64) TTRFTONAALAD2RORCFOLH1
SCHEMBL31542972 0.87 TTR (0.64) TTRFTONAALAD2RORCFOLH1
SCHEMBL23417780 0.87 TTR (0.64) TTRFTONAALAD2RORCFOLH1
SCHEMBL25045455 0.85 TTR (0.55) TTRFTONAALAD2RORCFOLH1

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
WO-2022079031-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2022-04-21 — — WO disclosed
Send feedback