SCHEMBL16559641

SCHEMBL16559641

CC(=O)CCCCO[C@@H]1OC(COC(=O)c2ccccc2)[C@H](C)[C@H](C)C1OC(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN1 P18031 7/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
F11 P03951 2/20 0.36
TNF P01375 1/20 0.36
LGALS9 O00182 1/20 0.35
LGALS1 P09382 1/20 0.35
LGALS3 P17931 1/20 0.35
LGALS7; LGALS7B P47929 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN11 Q06124 1/20 0.35
LMNA P02545 1/20 0.35
ELANE P08246 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 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
SCHEMBL19473213 0.92 MEN1 (0.39) MEN1USP2POLBKMT2APTPN1
SCHEMBL19473217 0.90 MEN1 (0.38) MEN1USP2POLBKMT2APTPN1
SCHEMBL13367680 0.90 PTPN1 (0.47) MEN1USP2POLBKMT2APTPN1
SCHEMBL13341003 0.90 PTPN1 (0.47) MEN1USP2POLBKMT2APTPN1
SCHEMBL13117381 0.90 PTPN1 (0.47) MEN1USP2POLBKMT2APTPN1
SCHEMBL12248445 0.90 PTPN1 (0.47) MEN1USP2POLBKMT2APTPN1
SCHEMBL12248450 0.90 PTPN1 (0.47) MEN1USP2POLBKMT2APTPN1
SCHEMBL14978150 0.90 PTPN1 (0.47) MEN1USP2POLBKMT2APTPN1
SCHEMBL15341350 0.90 LGALS9 (0.36) PTPN1TDP1LGALS9LGALS1LGALS3
SCHEMBL15344331 0.90 PTPN1 (0.47) MEN1USP2POLBKMT2APTPN1

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
US-20160376591-A1 iRNA AGENTS WITH BIOCLEAVABLE TETHERS BANK OF AMERICA, N.A. 2016-12-29 US disclosed
US-9476045-B2 iRNA agents with biocleavable tethers ALNYLAM PHARMACEUTICALS, INC. (US) 2016-10-25 US disclosed
US-20150073133-A1 iRNA AGENTS WITH BIOCLEAVABLE TETHERS BANK OF AMERICA, N.A. 2015-03-12 US disclosed