SCHEMBL5548708

SCHEMBL5548708

S=C(S)N1CCOCCOCCN(C(=S)S)CCOCCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.56
CA1 P00915 5/20 0.56
CA9 Q16790 5/20 0.56
CA2 P00918 4/20 0.56
MGLL Q99685 5/20 0.54
ALDH1A1 P00352 4/20 0.54
PDK1 Q15118 2/20 0.54
PDK2 Q15119 2/20 0.54
PDK3 Q15120 2/20 0.54
PHGDH O43175 2/20 0.54
FAAH O00519 1/20 0.54
ALDH2 P05091 1/20 0.54
MAPT P10636 5/20 0.52
HPGD P15428 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL14184812 1.00 CA12 (0.56) CA12CA1CA9CA2MGLL
SCHEMBL14184811 1.00 CA12 (0.56) CA12CA1CA9CA2MGLL
SCHEMBL5547396 1.00 CA12 (0.56) CA12CA1CA9CA2MGLL
SCHEMBL14184810 1.00 CA12 (0.56) CA12CA1CA9CA2MGLL
SCHEMBL7331881 0.97
SCHEMBL10026536 0.97 CA12 (0.59) CA12CA1CA9CA2MGLL
SCHEMBL27517474 0.94 CA12 (0.56) CA12CA1CA9CA2MGLL
SCHEMBL14184828 0.89 PDK1 (0.59) CA12CA1CA9CA2MGLL
SCHEMBL15267342 0.87 MEN1 (0.50) CA12CA1CA9CA2MGLL
SCHEMBL5548709 0.84 CA12 (0.46) CA12CA1CA9CA2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE44510-E1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2013-09-24 US disclosed
US-RE44510-E1 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2013-09-24 US disclosed
US-8173842-B2 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2012-05-08 US disclosed
US-8173842-B2 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2012-05-08 US disclosed
US-7923576-B2 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2011-04-12 US disclosed
US-7923576-B2 Multifunctional linker molecules for tuning electronic charge transport through organic-inorganic composite structures and uses thereof SONY DEUTSCHLAND GMBH (DE) 2011-04-12 US disclosed