SCHEMBL7052041

SCHEMBL7052041

COc1cc(C(O)c2ccccc2)c(Oc2c(Br)[c]ccc2Br)cc1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.37
CNR2 P34972 1/20 0.34
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
P2RX3 P56373 3/20 0.33
P2RX2 Q9UBL9 3/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 2/20 0.32
THRA P10827 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RORC P51449 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL7053353 0.77 NR3C1 (0.46) NR3C1P2RX3P2RX2MEN1KMT2A
SCHEMBL7249278 0.77 NR3C1 (0.62) NR3C1THRBTHRA
SCHEMBL7250347 0.75 NR3C1 (0.46) NR3C1GAAP2RX3P2RX2TOP2A
SCHEMBL7251075 0.73 NR3C1 (0.46) NR3C1GAAP2RX3P2RX2TOP2A
SCHEMBL7052846 0.73 NR3C1 (0.67) NR3C1GAAALDH1A1MEN1KMT2A
SCHEMBL7250248 0.70 NR3C1 (0.52) NR3C1TOP2ATOP2BTHRBTHRA
SCHEMBL7250267 0.70 NR3C1 (0.61) NR3C1THRBTHRA
SCHEMBL11863667 0.70 CNR2 (0.47) CNR2GAAALDH1A1PKMMEN1
SCHEMBL7249537 0.69 NR3C1 (0.70) NR3C1THRBTHRA
SCHEMBL7250117 0.69 NR3C1 (0.62) NR3C1THRBTHRA

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 1 patent. 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