SCHEMBL30416641

SCHEMBL30416641

CC(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 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
SCHEMBL29846085 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL29520571 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL30946745 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL30946746 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL30946743 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL17614754 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL30416902 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL30946744 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL30946742 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL19000752 1.00 TDP1 (0.47) TDP1MEN1KMT2ATSHRMAPK1

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-11638911-B2 Mesoporous metal titanates as multifunctional catalysts UNIVERSITY OF CONNECTICUT (US) 2023-05-02 US disclosed