SCHEMBL7054414

SCHEMBL7054414

COc1cc(C(=O)N2CCCC2)c(Oc2c(Br)c[c]cc2Br)cc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
GAA P10253 3/20 0.42
NR3C1 P04150 1/20 0.42
HPGD P15428 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.37
HSD11B1 P28845 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL7048692 0.84 NR3C1 (0.61) KMT2AMEN1GAANR3C1HPGD
SCHEMBL7677676 0.83 NR3C1 (0.51) KMT2AMEN1GAANR3C1HPGD
SCHEMBL19651843 0.81 MEN1 (0.70) KMT2AMEN1GAAHPGDL3MBTL1
SCHEMBL7054408 0.76 NR3C1 (0.50) KMT2AMEN1NR3C1HPGDLMNA
SCHEMBL7055432 0.74 NR3C1 (0.73) KMT2AMEN1GAANR3C1HPGD
SCHEMBL7053375 0.73 NR3C1 (0.48) GAANR3C1LMNANPSR1NPC1
SCHEMBL19657117 0.72 ALDH1A1 (0.58) KMT2AMEN1GAATSHRALDH1A1
SCHEMBL24163473 0.71 MEN1 (0.73) KMT2AMEN1GAAHPGDL3MBTL1
SCHEMBL7055363 0.70 NR3C1 (0.50) GAANR3C1TSHRHTT
SCHEMBL19651827 0.67 HPGD (0.65) KMT2AMEN1GAAHPGDL3MBTL1

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 2 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-B1 GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS KAROBIO AB (SE) 2003-04-23 EP disclosed