SCHEMBL17772563

SCHEMBL17772563

CCC(=O)NC1[C@@H](OC(=O)CC)OC(COC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.48
▸ TLR4 O00206 10/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LY96 Q9Y6Y9 6/20 0.41
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL23651830 1.00 LMNA (0.48) LMNATLR4KMT2ALY96POLB
SCHEMBL24105787 1.00 LMNA (0.48) LMNATLR4KMT2ALY96POLB
SCHEMBL23651844 1.00 LMNA (0.48) LMNATLR4KMT2ALY96POLB
SCHEMBL22033844 0.91 LMNA (0.44) LMNATLR4KMT2ALY96POLB
SCHEMBL13302128 0.89 LMNA (0.57) LMNATLR4KMT2ALY96POLB
SCHEMBL3337615 0.89 LMNA (0.57) LMNATLR4KMT2ALY96POLB
SCHEMBL17689314 0.89 LMNA (0.57) LMNATLR4KMT2ALY96POLB
SCHEMBL23872029 0.88 LMNA (0.42) LMNATLR4KMT2ALY96POLB
SCHEMBL22033845 0.87 LMNA (0.44) LMNATLR4KMT2ALY96POLB
SCHEMBL19090500 0.84 CYP2D6 (0.44) LMNAKMT2AMAPTCYP2C9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016079330-A1 GEL FORMULATIONS FOR LOCAL DRUG RELEASE TECHNICAL UNIVERSITY OF DENMARK (DK) 2016-05-26 — — WO disclosed
WO-2016079332-A1 GEL FORMULATIONS FOR IMPROVING IMMUNOTHERAPY TECHNICAL UNIVERSITY OF DENMARK (DK) 2016-05-26 — — WO disclosed
WO-2016079331-A1 GEL FORMULATIONS FOR ENHANCING THE EFFECT OF RADIOTHERAPY TECHNICAL UNIVERSITY OF DENMARK (DK) 2016-05-26 — — WO disclosed
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