SCHEMBL6825994

SCHEMBL6825994

O=C(O)CCCc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 10/20 0.69
▸ THRA P10827 8/20 0.69
▸ PPARG P37231 7/20 0.69
▸ RXRA P19793 3/20 0.69
▸ ITGB3 P05106 1/20 0.69
▸ ITGAV P06756 1/20 0.69
▸ PCNA P12004 8/20 0.61
▸ POLB P06746 2/20 0.61
▸ HIF1A Q16665 2/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ LMNA P02545 5/20 0.58
▸ ADORA3 P0DMS8 3/20 0.58
▸ PDE4D Q08499 3/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ TTR P02766 2/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ HTR1A P08908 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58

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
SCHEMBL4238467 0.91 THRB (0.73) THRBTHRAPPARGRXRAITGB3
SCHEMBL6825136 0.85 THRB (0.85) THRBTHRAPPARGRXRAITGB3
SCHEMBL16425259 0.82 PCNA (0.68) THRBTHRAPPARGRXRAITGB3
Tetrac SCHEMBL365951 0.82 THRB (1.00) THRBTHRAPPARGRXRAITGB3
SCHEMBL7764850 0.81 MAPT (0.52) THRBTHRAPPARGRXRAITGB3
SCHEMBL554462 0.79 PCNA (0.62) THRBTHRAPPARGRXRAITGB3
SCHEMBL14264006 0.79 THRB (0.62) THRBTHRAPPARGRXRAITGB3
SCHEMBL12440046 0.78 PCNA (0.69) THRBTHRAPPARGRXRAITGB3
SCHEMBL13886596 0.77 THRB (0.60) THRBTHRAPPARGRXRAITGB3
SCHEMBL3217395 0.77 THRB (0.73) THRBTHRAPPARGRXRAITGB3

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-1398024-A2 Uses for thyroid hormone compounds KARO BIO AB (SE) 2004-03-17 — — EP claimed
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