SCHEMBL7054883

SCHEMBL7054883

COc1cc(C(=O)c2ccccc2)c(Oc2c(Br)cc([N+](=O)[O-])cc2Br)cc1C(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.60
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 6/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 3/20 0.40
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39
TUBB8 Q3ZCM7 2/20 0.39
TUBA3E Q6PEY2 2/20 0.39
TUBA1A Q71U36 2/20 0.39
TUBA1C Q9BQE3 2/20 0.39

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
SCHEMBL7048724 0.86 NR3C1 (0.65) NR3C1HPGDCYP1A2CYP2D6CYP2C19
SCHEMBL7049898 0.85 NR3C1 (0.46) NR3C1MAPTKMT2ACRHBPHTT
SCHEMBL7055799 0.85 NR3C1 (0.77) NR3C1CYP1A2CYP2C19MAPTKMT2A
SCHEMBL7050581 0.85 NR3C1 (0.63) NR3C1HPGDCYP1A2CYP2D6CYP2C19
SCHEMBL7052325 0.83 NR3C1 (0.84) NR3C1HPGDCYP1A2CYP2D6CYP2C19
SCHEMBL7049805 0.82 NR3C1 (0.65) NR3C1CYP1A2CYP2C19MAPTKMT2A
SCHEMBL7053515 0.81 NR3C1 (0.72) NR3C1HPGDCYP1A2CYP2D6CYP2C19
SCHEMBL27565370 0.80 NR3C1 (0.66) NR3C1HPGDCYP1A2CYP2D6CYP2C19
SCHEMBL7054388 0.79 NR3C1 (0.55) NR3C1HPGDCYP1A2CYP2D6CYP2C19
SCHEMBL7053361 0.77 NR3C1 (0.53) NR3C1HPGDMAPTKMT2AHTT

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