SCHEMBL5072138

SCHEMBL5072138

COc1cc(Cl)c2cc(Oc3c(Br)cc(O)cc3Br)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
PLA2G10 O15496 2/20 0.36
BCHE P06276 7/20 0.35
ACHE P22303 7/20 0.35
ESRRB O95718 1/20 0.35
ESR1 P03372 1/20 0.35
ESRRA P11474 1/20 0.35
ESR2 Q92731 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DHODH Q02127 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GRIN1 Q05586 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
SCHEMBL5072131 0.88 L3MBTL1 (0.38) L3MBTL1THRATHRBPLA2G10BCHE
SCHEMBL5076613 0.86 KDM4E (0.41) L3MBTL1THRATHRBPLA2G10BCHE
SCHEMBL5072134 0.85 ESR1 (0.38) THRATHRBESRRBESR1ESRRA
SCHEMBL3140799 0.84 THRA (0.42) L3MBTL1THRATHRBPLA2G10KDM4E
SCHEMBL16650948 0.74 L3MBTL1 (0.58) L3MBTL1THRBBCHEACHEDHODH
SCHEMBL5076608 0.74 KDM4E (0.41) L3MBTL1THRATHRBPLA2G10BCHE
SCHEMBL5072159 0.74 THRB (0.39) THRATHRBESRRBESR1ESRRA
SCHEMBL3140938 0.72 THRA (0.46) THRATHRBKDM4E
SCHEMBL5072132 0.72 NT5E (0.35) THRATHRBBCHEACHEKDM4E
SCHEMBL3142072 0.71 ALOX15 (0.43) L3MBTL1THRATHRBPLA2G10KDM4E

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-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 WO disclosed