SCHEMBL9609802

SCHEMBL9609802

CCOC(=O)C(C)CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC)C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
CPB2 Q96IY4 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
EPHX2 P34913 3/20 0.33
PPARG P37231 2/20 0.33
RAB9A P51151 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
SCHEMBL12019115 1.00 CYP3A4 (0.44) CYP3A4CYP2C19GAAALDH1A1MEN1
SCHEMBL16573686 0.94 CYP3A4 (0.47) CYP3A4CYP2C19GAAALDH1A1MEN1
SCHEMBL12907779 0.94 CYP3A4 (0.47) CYP3A4CYP2C19GAAALDH1A1MEN1
SCHEMBL23772841 0.86 SLC1A3 (0.48) CYP3A4CYP2C19GAAALDH1A1MEN1
SCHEMBL12173369 0.86 MEN1 (0.40) CYP3A4CYP2C19GAAALDH1A1MEN1
SCHEMBL16751263 0.86 CYP3A4 (0.42) CYP3A4CYP2C19GAAALDH1A1MEN1
SCHEMBL12173368 0.84 CYP3A4 (0.37) CYP3A4CYP2C19GAAMEN1NPC1
SCHEMBL17617124 0.83 CPA1 (0.44) CYP3A4CYP2C19GAAALDH1A1MEN1
SCHEMBL13555039 0.83 CPA1 (0.44) CYP3A4CYP2C19GAAALDH1A1MEN1
SCHEMBL13541257 0.83 CPA1 (0.44) CYP3A4CYP2C19GAAALDH1A1MEN1

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-20120134875-A1 Aluminum alloy sheet for lithographic printing plate, and manufacturing method thereof FURUKAWA-SKY ALUMINUM CORP. (JP) 2012-05-31 US disclosed