SCHEMBL14562186

SCHEMBL14562186

CC1(C)CC(=O)C(=C/C=C/C2=C(O)CC(C)(C)CC2=O)C(=O)C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.57
▸ MAPT P10636 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ ALDH1A1 P00352 9/20 0.46
▸ POLB P06746 2/20 0.46
▸ TSHR P16473 3/20 0.46
▸ MCL1 Q07820 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ APP P05067 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL13943136 0.94 GAA (0.54) GAAMAPTKDM4EHTTALDH1A1
SCHEMBL12153959 0.94 GAA (0.54) GAAMAPTKDM4EHTTALDH1A1
SCHEMBL12715186 0.78 GAA (0.44) GAAMAPTKDM4EHTTALDH1A1
SCHEMBL12216668 0.77 GAA (0.39) GAAMAPTKDM4EHTTALDH1A1
SCHEMBL13967102 0.73 GAA (0.37) GAAMAPTKDM4EHTTALDH1A1
SCHEMBL13966822 0.73 GAA (0.67) GAAMAPTKDM4EHTTALDH1A1
SCHEMBL13943827 0.72 ALDH1A1 (0.40) GAAMAPTKDM4EHTTALDH1A1
SCHEMBL13968120 0.69 GAA (0.56) GAAMAPTKDM4EHTTALDH1A1
SCHEMBL13855924 0.68 POLB (0.61) GAAMAPTKDM4EHTTALDH1A1
SCHEMBL10098421 0.68 POLB (0.61) GAAMAPTKDM4EHTTALDH1A1

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
US-20070059641-A1 Optical recording medium and polymethine complex for use in the recording layer of the optical recording medium INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2007-03-15 — — US disclosed
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