SCHEMBL6301832

SCHEMBL6301832

C=CCO[C@@H]1[C@H](O)[C@@H](COC(=O)c2ccccc2)O[C@H]1n1ccc(N)nc1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ST6GAL1 P15907 5/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
MTOR P42345 1/20 0.48
MDM2 Q00987 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
GLA P06280 1/20 0.42
NT5E P21589 1/20 0.42
P2RY6 Q15077 1/20 0.42
P2RY14 Q15391 1/20 0.42
P2RY2 P41231 1/20 0.42

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
SCHEMBL4450358 0.86 ALDH1A1 (0.54) ALDH1A1ST6GAL1LMNATHRBMTOR
SCHEMBL7621142 0.85 LMNA (0.67) ALDH1A1LMNATHRBMTORMDM2
SCHEMBL1055171 0.85 LMNA (0.67) ALDH1A1LMNATHRBMTORMDM2
SCHEMBL1055169 0.85 LMNA (0.67) ALDH1A1LMNATHRBMTORMDM2
SCHEMBL13678671 0.85 LMNA (0.66) ALDH1A1ST6GAL1LMNATHRBMTOR
SCHEMBL441997 0.85 LMNA (0.66) ALDH1A1ST6GAL1LMNATHRBMTOR
SCHEMBL6361611 0.84 ALDH1A1 (0.49) ALDH1A1ST6GAL1LMNATHRBMTOR
SCHEMBL7927097 0.84 LMNA (0.48) ST6GAL1LMNATHRBMTORMDM2
Hydrochloric Acid SCHEMBL11852550 0.84 LMNA (0.65) ALDH1A1ST6GAL1LMNATHRBMTOR
SCHEMBL8909227 0.84 P2RY2 (0.53) ST6GAL1LMNATHRBMTORMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620926-B2 Composition for use in the generation and purification of oligonucleotide sequences YALE UNIVERSITY 2003-09-16 US claimed
US-6921818-B2 Purification of oligomers YALE UNIVERSITY (US) 2005-07-26 US disclosed
US-20040044190-A1 Purification of oligomers SIRNA THERAPEUTICS, INC. 2004-03-04 US disclosed
US-6620926-B2 Composition for use in the generation and purification of oligonucleotide sequences YALE UNIVERSITY 2003-09-16 US disclosed
US-20020099182-A1 Purification of oligomers YALE UNIVERSITY 2002-07-25 US disclosed
US-6410225-B1 USING ORGANOSILICON COMPOUNDS YALE UNIVERSITY 2002-06-25 US disclosed
EP-0989991-A1 PURIFICATION OF OLIGOMERS Innovir Laboratories, Inc. (US) 2000-04-05 EP disclosed
WO-1999000402-A1 PURIFICATION OF OLIGOMERS INNOVIR LABORATORIES, INC. (US) 1999-01-07 WO disclosed