SCHEMBL8835330

SCHEMBL8835330

[CH2]C(=O)Oc1ccc2cc(C#N)c(=O)oc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 6/20 0.67
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
CA9 Q16790 3/20 0.59
MIF P14174 1/20 0.59
CA12 O43570 3/20 0.51
MAOB P27338 2/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MAOA P21397 1/20 0.51
CA4 P22748 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
KDM4E B2RXH2 8/20 0.49
MAPT P10636 1/20 0.49
GPR35 Q9HC97 2/20 0.47
ALDH1A1 P00352 7/20 0.45
GAA P10253 4/20 0.45
HPGD P15428 4/20 0.45

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
SCHEMBL7914295 0.85 GLA (0.64) GLAKMT2AMEN1CA9MIF
SCHEMBL1104933 0.82 GLA (0.72) GLAKMT2AMEN1CA9MIF
SCHEMBL1094715 0.80 GLA (1.00) GLAKMT2AMEN1CA9MIF
SCHEMBL1460890 0.80 GLA (0.68) GLAKMT2AMEN1CA9MIF
SCHEMBL240958 0.77 GLA (1.00) GLAKMT2AMEN1CA9MIF
SCHEMBL30659741 0.76 GLA (0.71) GLAKMT2AMEN1CA9MIF
SCHEMBL7914326 0.75 GLA (0.61) GLAKMT2AMEN1CA9MIF
SCHEMBL480127 0.75 MIF (1.00) GLAKMT2AMEN1CA9MIF
SCHEMBL1104929 0.75 GLA (0.76) GLAKMT2AMEN1CA9MIF
SCHEMBL11149402 0.75 GLA (0.81) GLAKMT2AMEN1CA9MIF

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-0783537-A1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS F. HOFFMANN-LA ROCHE AG (CH) 1997-07-16 EP disclosed
WO-1996010049-A1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS F. HOFFMANN-LA ROCHE AG (CH) 1996-04-04 WO disclosed