SCHEMBL4313896

SCHEMBL4313896

CC1O[C@H](OC2C(CO)O[C@H](OCC3O[C@@H](O)[C@H](O)[C@@H](O)C3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1NC1C=C(CO)C(O)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AMY2A P04746 9/20 1.00
MGAM O43451 6/20 0.86
SI P14410 5/20 0.86
GAA P10253 4/20 0.86
AMY1A P0DUB6 3/20 0.86
CNR1 P21554 1/20 0.86
PTGS1 P23219 1/20 0.86
PDE4A P27815 1/20 0.86
PDE3A Q14432 1/20 0.86
MGAM2 Q2M2H8 1/20 0.86
ALDH1A1 P00352 1/20 0.86
GLA P06280 1/20 0.86
ENGASE Q8NFI3 1/20 0.41

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
SCHEMBL30937787 1.00 AMY2A (1.00) AMY2AMGAMSIGAAAMY1A
Acarbose SCHEMBL8798558 0.94 AMY2A (0.94) AMY2AMGAMSIGAAAMY1A
Acarbose SCHEMBL28219610 0.94 AMY2A (0.94) AMY2AMGAMSIGAAAMY1A
Acarbose SCHEMBL681337 0.93 AMY2A (1.00) AMY2AMGAMSIGAAAMY1A
Acarbose SCHEMBL14223718 0.93 AMY2A (1.00) AMY2AMGAMSIGAAAMY1A
Acarbose SCHEMBL19736300 0.93 AMY2A (1.00) AMY2AMGAMSIGAAAMY1A
Acarbose SCHEMBL22252576 0.93 AMY2A (1.00) AMY2AMGAMSIGAAAMY1A
Acarbose SCHEMBL22252575 0.93 AMY2A (1.00) AMY2AMGAMSIGAAAMY1A
Acarbose SCHEMBL22651301 0.93 AMY2A (1.00) AMY2AMGAMSIGAAAMY1A
Acarbose SCHEMBL4068725 0.93 AMY2A (1.00) AMY2AMGAMSIGAAAMY1A

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-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed