SCHEMBL6803264

SCHEMBL6803264

O=C(NC1CC(O)[C@@H]2O[C@H]12)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.54
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.48
EPHX1 P07099 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
KDM1A O60341 2/20 0.43
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
TLR4 O00206 1/20 0.43
NAAA Q02083 1/20 0.43

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
SCHEMBL6855921 0.88 CPB1 (0.56) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL4574080 0.87 CPB1 (0.60) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL4088176 0.86 CPB1 (0.59) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL4093654 0.86 CPB1 (0.59) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL13370746 0.86 CPB1 (0.59) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL4088179 0.86 CPB1 (0.59) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL12321138 0.84 CPB1 (0.50) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL18560233 0.84 CPB1 (0.50) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL10249662 0.84 CPB1 (0.50) CPB1ALDH1A1GAATSHREPHX1
SCHEMBL14709135 0.84 CPB1 (0.50) CPB1ALDH1A1GAATSHREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-6750344-B1 MONOCYCLIC AMINE SCAFFOLD BEARING AT LEAST TWO SITES OF DIVERSITY, CYCLIZED TO FORM BICYCLIC AMINE SCAFFOLDS; 7-AMINO-PYRROLO(1,2-A)PYRAZIN-4-ONE COMPOUNDS ISIS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-6316626-B1 Amine compounds and combinatorial libraries comprising same ISIS PHARMACEUTICALS, INC. 2001-11-13 US disclosed
US-6184389-B1 FEATURE A PLURALITY OF FUNCTIONAL GROUPS ATTACHED TO BACKBONE AND PHOSPHORAMIDATE SITES ISIS PHARMACEUTICALS, INC. 2001-02-06 US disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed