SCHEMBL5717856

SCHEMBL5717856

Cc1cc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)c(F)c(NC(C)C)c1.Cc1cc(COc2c(Cl)cc(CC(=O)O)cc2Cl)c(F)c(NC(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.38
THRA P10827 13/20 0.38
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
ABL1 P00519 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
RIN1 Q13671 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.33
TOP2A P11388 1/20 0.33
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL4931300 0.94 ALDH1A1 (0.37) ALDH1A1MEN1ABL1LMNAGAA
SCHEMBL5717861 0.94 THRA (0.36) THRBTHRAALDH1A1MEN1ABL1
SCHEMBL4930388 0.92 THRB (0.43) THRBTHRA
SCHEMBL5722767 0.92 THRA (0.47) THRBTHRAALDH1A1MEN1ABL1
SCHEMBL5717755 0.92 THRA (0.37) THRBTHRAALDH1A1MEN1ABL1
SCHEMBL5722584 0.90 THRA (0.36) THRBTHRAALDH1A1MEN1ABL1
SCHEMBL5718235 0.89 ALDH1A1 (0.34) THRBTHRAALDH1A1MEN1ABL1
SCHEMBL5722833 0.89 THRA (0.45) THRBTHRAALDH1A1MEN1ABL1
SCHEMBL5717860 0.88 KMT2A (0.33) THRBTHRAALDH1A1MEN1ABL1
SCHEMBL4935198 0.88 ALDH1A1 (0.38) THRBALDH1A1MEN1ABL1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732533-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092317-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2005-10-06 WO disclosed