SCHEMBL7053411

SCHEMBL7053411

COc1cc(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(Oc2c(Br)cccc2Br)cc1C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.57
TUBB4A P04350 6/20 0.37
TUBB P07437 6/20 0.37
TUBA3C P0DPH7 6/20 0.37
TUBA1B P68363 6/20 0.37
TUBA4A P68366 6/20 0.37
TUBB4B P68371 6/20 0.37
TUBB3 Q13509 6/20 0.37
TUBB2A Q13885 6/20 0.37
TUBB8 Q3ZCM7 6/20 0.37
TUBA3E Q6PEY2 6/20 0.37
TUBA1A Q71U36 6/20 0.37
TUBA1C Q9BQE3 6/20 0.37
TUBB6 Q9BUF5 6/20 0.37
TUBB2B Q9BVA1 6/20 0.37
TUBB1 Q9H4B7 6/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL7050494 0.85 NR3C1 (0.70) NR3C1
SCHEMBL7051558 0.84 NR3C1 (0.59) NR3C1
SCHEMBL7048724 0.78 NR3C1 (0.65) NR3C1CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL7052045 0.76 NR3C1 (0.78) NR3C1SMN1; SMN2LMNA
SCHEMBL7050581 0.76 NR3C1 (0.63) NR3C1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7055432 0.76 NR3C1 (0.73) NR3C1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7054015 0.75 NR3C1 (0.66) NR3C1SMN1; SMN2LMNA
SCHEMBL7052325 0.74 NR3C1 (0.84) NR3C1CYP1A2CYP2C19
SCHEMBL7054883 0.73 NR3C1 (0.60) NR3C1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7052439 0.73 NR3C1 (0.75) NR3C1CYP1A2CYP3A4CYP2C9CYP2C19

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 6 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 claimed
EP-1102739-A1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KARO BIO AB (SE) 2001-05-30 EP claimed
WO-2000007972-A1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KARO BIO AB (SE) 2000-02-17 WO claimed
EP-1102739-B1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KAROBIO AB (SE) 2003-04-23 EP 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