SCHEMBL7052439

SCHEMBL7052439

COc1cc(C(=O)c2cccc(C)c2)c(Oc2c(Br)cc(C(C)C(=O)O)cc2Br)cc1C(C)C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.75
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
MAPT P10636 2/20 0.37
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
RECQL P46063 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
PMP22 Q01453 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CXCL8 P10145 1/20 0.37
THPO P40225 1/20 0.37

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
SCHEMBL7050566 0.92 NR3C1 (0.71) NR3C1PTGS1PTGS2KDM4EALDH1A1
SCHEMBL5632584 0.86 NR3C1 (1.00) NR3C1HSD17B10THRATHRB
SCHEMBL7055432 0.85 NR3C1 (0.73) NR3C1HPGDKDM4EALDH1A1CYP3A4
SCHEMBL7053031 0.84 NR3C1 (0.83) NR3C1CTNNB1WNT3ATHRATHRB
SCHEMBL5630623 0.83 NR3C1 (0.85) NR3C1KDM4EALDH1A1CYP3A4CYP1A2
SCHEMBL7050844 0.83 NR3C1 (0.85) NR3C1KDM4EALDH1A1POLBLPAR1
SCHEMBL7250248 0.83 NR3C1 (0.52) NR3C1PTGS1LPAR1AKR1C3AKR1C2
SCHEMBL7050568 0.82 NR3C1 (0.76) NR3C1MAPTKDM4EALDH1A1CYP3A4
SCHEMBL7052846 0.81 NR3C1 (0.67) NR3C1MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL7684969 0.81 NR3C1 (0.88) NR3C1POLBNPC1RAB9ACTNNB1

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 3 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
US-6492424-B1 Glucocorticoid and thyroid hormone receptor ligands for the treatment of metabolic disorders KARO BIO AB (SE) 2002-12-10 US claimed
US-6492424-B1 Glucocorticoid and thyroid hormone receptor ligands for the treatment of metabolic disorders KARO BIO AB (SE) 2002-12-10 US disclosed