SCHEMBL7208468

SCHEMBL7208468

CCCCc1oc2ccccc2c1-c1cc(I)c(OCC(=O)O)c(I)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.73
THRB P10828 4/20 0.73
PTPN1 P18031 4/20 0.69
KDM5A P29375 7/20 0.56
KDM4A O75164 3/20 0.56
ING2 Q9H160 1/20 0.56
SIRT3 Q9NTG7 5/20 0.54
ABCB1 P08183 2/20 0.53
KDM7A Q6ZMT4 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TP53 P04637 2/20 0.53
CYP3A4 P08684 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
MLNR O43193 1/20 0.53
CACNA1F O60840 1/20 0.53
PHF2 O75151 1/20 0.53
ABCB11 O95342 1/20 0.53
NR3C1 P04150 1/20 0.53
ERBB2 P04626 1/20 0.53

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
SCHEMBL3228984 0.84 THRA (1.00) THRATHRBKDM5AKDM4AING2
SCHEMBL7496233 0.82 PTPN1 (1.00) THRATHRBPTPN1SIRT3LMNA
SCHEMBL19895690 0.75 KDM5A (0.85) THRATHRBKDM5AKDM4AING2
SCHEMBL9422390 0.75 THRA (0.59) THRATHRBKDM5AKDM4AING2
SCHEMBL9165920 0.75 THRA (0.82) THRATHRBKDM5AKDM4AING2
SCHEMBL19895688 0.74 THRA (0.83) THRATHRBKDM5AKDM4AING2
SCHEMBL6336963 0.74 THRA (0.78) THRATHRBPTPN1KDM5AKDM4A
SCHEMBL9422389 0.74 THRA (0.58) THRATHRBKDM5AKDM4AING2
SCHEMBL8625157 0.74 THRA (0.77) THRATHRBKDM5AKDM4AING2
SCHEMBL25873319 0.74 KDM5A (0.86) THRATHRBKDM5AKDM4AING2

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-0831769-B1 NOVEL USES FOR THYROID HORMONES OR THYROID HORMONE-LIKE COMPOUNDS KAROBIO AB (SE) 2003-10-15 EP claimed