SCHEMBL4451204

SCHEMBL4451204

C=C(Cl)OC(=O)/C=C/C(=O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAAA Q02083 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CYP19A1 P11511 4/20 0.34
CYP2C9 P11712 1/20 0.33
CA2 P00918 1/20 0.33
CYP17A1 P05093 3/20 0.31
EPHX2 P34913 1/20 0.31
GLA P06280 1/20 0.30

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
SCHEMBL7536676 0.86 THRB (0.44) THRBALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL2307504 0.86 THRB (0.44) THRBALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9274200 0.86 THRB (0.44) THRBALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9274205 0.79 THRB (0.55) THRBALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9274202 0.79 THRB (0.55) THRBALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL27533433 0.79 THRB (0.55) THRBALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1615681 0.77 NAAA (0.40) THRBALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1922495 0.76 NAAA (0.37) THRBALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4369901 0.75 HCAR2 (0.36)
SCHEMBL1337905 0.75 NPSR1 (0.42) THRBALDH1A1LMNAHTTSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976934-A4 RADIATION CURABLE SYSTEM GARNETT JOHN LYNDON (AU) 2009-05-13 EP disclosed
EP-1976934-A1 RADIATION CURABLE SYSTEM Garnett, John Lyndon (AU) 2008-10-08 EP disclosed
WO-2007079541-A1 RADIATION CURABLE SYSTEM GARNETT JOHN LYNDON (AU) 2007-07-19 WO disclosed