SCHEMBL7051555

SCHEMBL7051555

COC(=O)c1ccccc1-c1cc(C(C)C)c(O)c(C(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.58
SLC6A4 P31645 3/20 0.58
SLC6A2 P23975 1/20 0.58
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
MITF O75030 1/20 0.47
MAPT P10636 1/20 0.47
ROCK2 O75116 1/20 0.46
CSF1R P07333 1/20 0.46
KDR P35968 1/20 0.46
FLT3 P36888 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CDK5 Q00535 1/20 0.46
ROCK1 Q13464 1/20 0.46
SLK Q9H2G2 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
BCL2 P10415 3/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL254882 0.77 TSHR (0.59) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL29978969 0.77 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL6797969 0.77 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL30285287 0.76 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL27843639 0.76 SLC6A3 (0.74) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL1775832 0.76 SLC6A3 (0.74) SLC6A3SLC6A4SLC6A2LMNATSHR
Hydrogen Peroxide SCHEMBL28473316 0.76 TSHR (0.57) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL13002034 0.75 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL69464 0.75 SLC6A3 (0.67) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL8923988 0.74 SLC6A3 (0.73) SLC6A3SLC6A4SLC6A2LMNATSHR

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