SCHEMBL7817399

SCHEMBL7817399

CCOC1(OCC)NC(=N)c2ccc(OCC(C)CC(C)C)cc21

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.36
AAK1 Q2M2I8 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
SCHEMBL7835436 0.92 PDK2 (0.33) PDK2AAK1
SCHEMBL7831451 0.89 PDK2 (0.38) PDK2AAK1
SCHEMBL7826393 0.85 PDK2 (0.41) PDK2
SCHEMBL7828451 0.81 PDK2 (0.42) PDK2
SCHEMBL7817014 0.81 PDK2 (0.42) PDK2
SCHEMBL7826144 0.81 PDK2 (0.34) PDK2AAK1
SCHEMBL7825772 0.79 ALDH1A1 (0.35) PDK2
SCHEMBL7825985 0.78 PDK2 (0.46) PDK2
SCHEMBL7827212 0.78 PDK2 (0.46) PDK2
SCHEMBL8919366 0.77 PDK2 (0.34) PDK2AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679640-B1 Carboxylate and heat-sensitive recording material using same MITSUI CHEMICALS INC (JP) 2001-08-08 EP disclosed
US-5691272-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-11-25 US disclosed
US-5559247-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1996-09-24 US disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP disclosed