SCHEMBL5388301

SCHEMBL5388301

CC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(C(C)C(=O)O)cc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.51
THRA P10827 5/20 0.51
LMNA P02545 1/20 0.49
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ALDH3A1 P30838 1/20 0.40

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
SCHEMBL5388297 1.00 THRB (0.51) THRBTHRALMNAMAPTKMT2A
SCHEMBL5397857 0.85 THRA (0.71) THRBTHRALMNAMAPTKMT2A
SCHEMBL6917732 0.85 THRA (0.71) THRBTHRALMNAMAPTKMT2A
SCHEMBL5388467 0.83 THRB (0.72) THRBTHRA
SCHEMBL5858465 0.83 CRHBP (0.41) THRBTHRAMAPTRAB9ANPC1
SCHEMBL5381972 0.79 MTNR1B (0.50) THRBTHRAMAPTKMT2AMEN1
SCHEMBL5391707 0.79 THRA (0.52) THRBTHRALMNACYP1A2
SCHEMBL5391712 0.79 THRA (0.52) THRBTHRALMNACYP1A2
SCHEMBL5386428 0.78 KMT2A (0.47) THRBTHRAMAPTKMT2AMEN1
SCHEMBL7071559 0.76 LMNA (0.76) THRBLMNAMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199265-B2 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2007-04-03 US disclosed
EP-1296936-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2003-04-02 EP disclosed
WO-2001098256-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2001-12-27 WO disclosed