SCHEMBL7050581

SCHEMBL7050581

COC(=O)c1cc(Br)c(Oc2cc(C(C)C)c(OC)cc2C(=O)c2ccccc2)c(Br)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.63
HPGD P15428 5/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 3/20 0.42
GFER P55789 1/20 0.42
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
CYP3A4 P08684 2/20 0.40
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40
RECQL P46063 1/20 0.40
MAPK1 P28482 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 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
SCHEMBL7053361 0.90 NR3C1 (0.53) NR3C1HPGDLMNAMAPTKMT2A
SCHEMBL7051611 0.89 NR3C1 (0.51) NR3C1HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL7048724 0.89 NR3C1 (0.65) NR3C1HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL7050898 0.88 NR3C1 (0.54) NR3C1HPGDLMNAMAPTKMT2A
SCHEMBL7053515 0.86 NR3C1 (0.72) NR3C1HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL7052325 0.85 NR3C1 (0.84) NR3C1HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL7054883 0.85 NR3C1 (0.60) NR3C1HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL27565370 0.83 NR3C1 (0.66) NR3C1HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL7054388 0.81 NR3C1 (0.55) NR3C1HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL7052042 0.79 THRA (0.59) NR3C1HPGDLMNAMAPTKDM4E

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