SCHEMBL5722776

SCHEMBL5722776

Cc1cc(COc2c(Cl)cc(CC(=O)OC(=O)CNC(=O)c3cc(Cl)c(OCc4cc(C)cc(NC(=O)C(C)C)c4F)c(Cl)c3)cc2Cl)c(F)c(NC(=O)C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.38
THRA P10827 4/20 0.38
ALDH1A1 P00352 5/20 0.34
MDM2 Q00987 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SCN9A Q15858 2/20 0.33
KMT2A Q03164 5/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 4/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ABL1 P00519 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
RIN1 Q13671 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
SCHEMBL5722626 0.92 THRA (0.37) THRBTHRAALDH1A1SCN9AKMT2A
SCHEMBL5717860 0.92 KMT2A (0.33) THRBTHRAALDH1A1MDM2MAPK1
SCHEMBL5722588 0.91 ALDH1A1 (0.35) THRBALDH1A1MAPK1HTTKMT2A
SCHEMBL5722840 0.91 ALDH1A1 (0.38) THRBTHRAALDH1A1MAPK1HTT
SCHEMBL5722767 0.89 THRA (0.47) THRBTHRAALDH1A1MDM2MAPK1
SCHEMBL5717864 0.88 KMT2A (0.33) ALDH1A1MAPK1HTTKMT2APKM
SCHEMBL5111554 0.87 THRA (0.38) THRBTHRAALDH1A1MDM2MAPK1
SCHEMBL5718237 0.86 HSD17B10 (0.33) THRBALDH1A1MAPK1HTTKMT2A
SCHEMBL5718154 0.84 TAOK1 (0.33) ALDH1A1MAPK1HTTKMT2APKM
SCHEMBL5722493 0.84 SENP5 (0.35) THRBTHRAALDH1A1MAPK1HTT

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-1732532-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092316-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2005-10-06 WO disclosed