SCHEMBL7058733

SCHEMBL7058733

Cc1cc([NH])cc(C)c1Oc1ccc(O)c(NC(=O)CCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 15/20 0.59
THRA P10827 11/20 0.59
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
POLB P06746 1/20 0.48
HDAC1 Q13547 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
FFAR1 O14842 1/20 0.46

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
SCHEMBL7024880 0.87 THRB (0.57) THRBTHRAALOX15MAPK1POLB
SCHEMBL7055352 0.83 THRB (0.50) THRBTHRA
SCHEMBL2785263 0.79 THRB (0.64) THRBTHRAALOX15MAPK1
SCHEMBL12312631 0.78 THRB (0.56) THRBTHRAALOX15MAPK1
SCHEMBL7055219 0.77 KCNQ2 (0.46) THRBTHRA
SCHEMBL23172131 0.76 RAB9A (0.73) ALOX15MAPK1POLBHDAC1HCAR2
SCHEMBL5396284 0.74 THRB (1.00) THRBTHRA
SCHEMBL7060025 0.73 THRB (0.55) THRBTHRA
SCHEMBL7055355 0.72 THRB (0.47) THRBTHRAPOLB
SCHEMBL5393816 0.71 THRB (0.85) THRBTHRA

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-1307426-A1 AMINO DIPHENYL ETHERS AND AMIDO DIPHENYL ETHERS Bayer Aktiengesellschaft (DE) 2003-05-07 EP disclosed
WO-2002012169-A1 AMINO DIPHENYL ETHERS AND AMIDO DIPHENYL ETHERS BAYER AKTIENGESELLSCHAFT (DE) 2002-02-14 WO disclosed