SCHEMBL16299449

SCHEMBL16299449

CC(=O)OC1C(OCCCCCCCCC(=O)O)OC(COC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C(O)C1OC1OC(COC(=O)c2ccccc2)C(C)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.39
TSHR P16473 1/20 0.38
PRKCA P17252 1/20 0.38
AKT1 P31749 1/20 0.38
PTK2 Q05397 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
PTPN1 P18031 6/20 0.36
F11 P03951 2/20 0.36
ANTXR2 P58335 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ELANE P08246 1/20 0.35
PTPN2 P17706 1/20 0.35

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
SCHEMBL15833428 0.97 PAX8 (0.41) PAX8TSHRPRKCAAKT1PTK2
SCHEMBL16015593 0.96 PAX8 (0.39) PAX8TSHRPRKCAAKT1PTK2
SCHEMBL15833442 0.96 PAX8 (0.39) PAX8TSHRPRKCAAKT1PTK2
SCHEMBL16299436 0.95 PAX8 (0.41) PAX8TSHRPRKCAAKT1PTK2
SCHEMBL16015605 0.94 PAX8 (0.37) PAX8TSHRPRKCAAKT1PTK2
SCHEMBL19767541 0.93 PAX8 (0.38) PAX8TSHRPRKCAAKT1PTK2
SCHEMBL10177676 0.92 PAX8 (0.43) PAX8TSHRPRKCAAKT1PTK2
SCHEMBL19767532 0.91 KMT2A (0.38) PAX8TSHRPRKCAAKT1PTK2
SCHEMBL16351356 0.88 PAX8 (0.38) PAX8TSHRPRKCAAKT1PTK2
SCHEMBL13447794 0.88 TSHR (0.47) PAX8TSHRMEN1USP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450467-B2 Carbohydrate conjugates as delivery agents for oligonucleotides ALNYLAM PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-8106022-B2 Carbohydrate conjugates as delivery agents for oligonucleotides ALNYLAM PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed