SCHEMBL7053375

SCHEMBL7053375

COc1cc(C(=O)Cc2ccc(Cl)cc2)c(Oc2c(Br)c[c]cc2Br)cc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
RORC P51449 5/20 0.36
THRB P10828 5/20 0.36
LPAR1 Q92633 2/20 0.35
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PIK3CA P42336 1/20 0.34
THRA P10827 2/20 0.34
PKM P14618 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HIF1A Q16665 1/20 0.34
PARP1 P09874 1/20 0.33
PARG Q86W56 1/20 0.33

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
SCHEMBL7051600 0.87 NR3C1 (0.53) NR3C1RORCTHRBLPAR1THRA
SCHEMBL7051707 0.76 NR3C1 (0.74) NR3C1THRBTHRA
SCHEMBL7687151 0.75 NR3C1 (0.62) NR3C1RORCTHRBLPAR1THRA
SCHEMBL7054408 0.75 NR3C1 (0.50) NR3C1SMN1; SMN2LMNATHRBNPC1
SCHEMBL7053492 0.74 NR3C1 (0.58) NR3C1LMNARORCTHRBNPSR1
SCHEMBL7054414 0.73 KMT2A (0.50) NR3C1SMN1; SMN2LMNAGAANPSR1
SCHEMBL7055432 0.73 NR3C1 (0.73) NR3C1LPAR1GAANPC1RAB9A
SCHEMBL7052346 0.70 NR3C1 (0.64) NR3C1THRBTHRA
SCHEMBL7054486 0.70 NR3C1 (0.82) NR3C1THRBTHRA
SCHEMBL7051598 0.69 NR3C1 (0.53) 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