SCHEMBL3726095

SCHEMBL3726095

NC(=O)CCC(=O)NC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYGB P11216 7/20 0.70
GAA P10253 1/20 0.65
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA9 Q16790 5/20 0.54
CA12 O43570 3/20 0.54
AKR1B1 P15121 1/20 0.48

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
SCHEMBL8531795 1.00 PYGB (0.70) PYGBGAACA1CA2CA9
SCHEMBL16327600 0.84 PYGB (0.75) PYGBGAACA1CA2CA9
SCHEMBL22797044 0.84 PYGB (0.75) PYGBGAACA1CA2CA9
SCHEMBL16327599 0.84 PYGB (0.75) PYGBGAACA1CA2CA9
SCHEMBL8668587 0.84 PYGB (0.74) PYGBGAACA1CA2CA9
SCHEMBL8665848 0.84 PYGB (0.74) PYGBGAACA1CA2CA9
SCHEMBL8668278 0.84 PYGB (0.74) PYGBGAACA1CA2CA9
SCHEMBL8669655 0.84 PYGB (0.74) PYGBGAACA1CA2CA9
SCHEMBL13745906 0.83 PYGB (0.77) PYGBGAACA1CA2CA9
SCHEMBL20927544 0.83 PYGB (1.00) PYGBGAACA1CA2CA9

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-8303933-B2 Multicomponent assemblies having enhanced binding properties for diagnosis and therapy MALLINCKRODT LLC (US) 2012-11-06 US disclosed
US-20100280232-A1 MULTICOMPONENT ASSEMBLIES HAVING ENHANCED BINDING PROPERTIES FOR DIAGNOSIS AND THERAPY MALLINCKRODT INC. (US) 2010-11-04 US disclosed
US-20100280177-A1 MULTICOMPONENT ASSEMBLIES HAVING ENHANCED BINDING PROPERTIES FOR DIAGNOSIS AND THERAPY MALLINCKRODT INC. (US) 2010-11-04 US disclosed
US-7087212-B2 Multicomponent assemblies having enhanced binding properties for diagnosis and therapy MALLINCKRODT, INC (US) 2006-08-08 US disclosed
EP-1465666-A4 MULTICOMPONENT ASSEMBLIES HAVING ENHANCED BINDING PROPERTIES FOR DIAGNOSIS AND THERAPY MALLINCKRODT INC (US) 2005-11-30 EP disclosed
EP-1465666-A2 MULTICOMPONENT ASSEMBLIES HAVING ENHANCED BINDING PROPERTIES FOR DIAGNOSIS AND THERAPY Mallinckrodt Inc. (US) 2004-10-13 EP disclosed
WO-2003015606-A2 MULTICOMPONENT ASSEMBLIES HAVING ENHANCED BINDING PROPERTIES FOR DIAGNOSIS AND THERAPY MALLINCKRODT INC. (US) 2003-02-27 WO disclosed
US-20030039683-A1 Multicomponent assemblies having enhanced binding properties for diagnosis and therapy MALLINCKRODT INC. (US) 2003-02-27 US disclosed