SCHEMBL7168491

SCHEMBL7168491

C=C(C(=O)OC)C(C1CCCCCC1)(C1CCCCCC1)C1CCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
EPHX2 P34913 3/20 0.35
NPSR1 Q6W5P4 1/20 0.34
EPHX1 P07099 6/20 0.33
SSTR4 P31391 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP2 P08253 2/20 0.33
CA9 Q16790 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
FKBP1A P62942 2/20 0.31

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
SCHEMBL8189508 1.00 ALDH1A1 (0.37) ALDH1A1EPHX2NPSR1EPHX1SSTR4
Methacrylic Acid SCHEMBL5669359 0.82 ALDH1A1 (0.46) ALDH1A1EPHX1
SCHEMBL1822633 0.80 ALDH1A1 (0.38) ALDH1A1NPSR1EPHX1SMN1; SMN2
SCHEMBL14777042 0.75 KEAP1 (0.33) ALDH1A1EPHX2EPHX1SMN1; SMN2
SCHEMBL1319365 0.75 KEAP1 (0.33) ALDH1A1EPHX2EPHX1SMN1; SMN2
SCHEMBL214056 0.75 KEAP1 (0.33) ALDH1A1EPHX2EPHX1SMN1; SMN2
SCHEMBL1155629 0.75 KEAP1 (0.33) ALDH1A1EPHX2EPHX1SMN1; SMN2
SCHEMBL8519002 0.75
SCHEMBL8518391 0.74
SCHEMBL1412679 0.73 KEAP1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003139972-A PLASTIC OPTICAL FIBER, PLASTIC OPTICAL FIBER CABLE AND PLASTIC OPTICAL FIBER CABLE WITH PLUG MITSUBISHI RAYON CO LTD 2003-05-14 JP disclosed