SCHEMBL7052430

SCHEMBL7052430

COc1cc(C(=O)c2cccc(C)c2)c(Oc2c(Br)cc([C@@]3(C(=O)O)CCCN3)cc2Br)cc1C(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.64
POLB P06746 1/20 0.31
KCNK3 O14649 2/20 0.31
KCNK9 Q9NPC2 2/20 0.31
LPAR1 Q92633 4/20 0.31
CYP3A4 P08684 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2D6 P10635 1/20 0.31
HPGD P15428 1/20 0.31
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL7052439 0.79 NR3C1 (0.75) NR3C1POLBKCNK3KCNK9LPAR1
SCHEMBL5632584 0.78 NR3C1 (1.00) NR3C1
SCHEMBL7055432 0.78 NR3C1 (0.73) NR3C1POLBKCNK3KCNK9LPAR1
SCHEMBL7053031 0.77 NR3C1 (0.83) NR3C1
SCHEMBL7050566 0.77 NR3C1 (0.71) NR3C1POLBKCNK3KCNK9LPAR1
SCHEMBL5630623 0.76 NR3C1 (0.85) NR3C1KCNK3KCNK9LPAR1CYP3A4
SCHEMBL7050844 0.76 NR3C1 (0.85) NR3C1POLBKCNK3KCNK9LPAR1
SCHEMBL7050568 0.74 NR3C1 (0.76) NR3C1KCNK3KCNK9LPAR1CYP3A4
SCHEMBL7052846 0.74 NR3C1 (0.67) NR3C1POLBKCNK3KCNK9LPAR1
SCHEMBL7684969 0.73 NR3C1 (0.88) NR3C1POLBNPC1RAB9A

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