SCHEMBL7052393

SCHEMBL7052393

CCCCCC(=O)c1cc(OC)c(C(C)C)cc1Oc1c(Br)cc(CC(=O)OC)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.51
TRPV1 Q8NER1 2/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
THRA P10827 9/20 0.38
THRB P10828 9/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PAK1 Q13153 1/20 0.35
S1PR2 O95136 4/20 0.35
S1PR1 P21453 4/20 0.35
S1PR3 Q99500 3/20 0.35
LPAR2 Q9HBW0 3/20 0.35
S1PR4 O95977 2/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL7054764 0.91 NR3C1 (0.61) NR3C1TRPV1ALDH1A1CYP3A4CYP2C9
SCHEMBL7254981 0.85 NR3C1 (0.57) NR3C1THRATHRB
SCHEMBL7051598 0.84 NR3C1 (0.53) NR3C1THRATHRB
SCHEMBL7051600 0.82 NR3C1 (0.53) NR3C1THRATHRB
SCHEMBL7252423 0.81 NR3C1 (0.52) NR3C1ALDH1A1THRATHRBMEN1
SCHEMBL7251618 0.80 NR3C1 (0.52) NR3C1THRATHRB
SCHEMBL7256183 0.80 NR3C1 (0.69) NR3C1THRATHRB
SCHEMBL7053515 0.80 NR3C1 (0.72) NR3C1THRATHRBKMT2A
SCHEMBL7681978 0.79 NR3C1 (0.71) NR3C1CYP3A4CYP2C9THRATHRB
SCHEMBL7053915 0.79 NR3C1 (0.61) NR3C1THRATHRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102739-B1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KAROBIO AB (SE) 2003-04-23 EP disclosed
US-6492424-B1 Glucocorticoid and thyroid hormone receptor ligands for the treatment of metabolic disorders KARO BIO AB (SE) 2002-12-10 US disclosed
EP-1102739-A1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KARO BIO AB (SE) 2001-05-30 EP disclosed
WO-2000007972-A1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KARO BIO AB (SE) 2000-02-17 WO disclosed