SCHEMBL849757

SCHEMBL849757

NC(CCc1nc(C[C@H](N)C(=O)O)c[nH]1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 2/20 0.41
GRM2 Q14416 2/20 0.39
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
BLM P54132 2/20 0.38
PMP22 Q01453 2/20 0.38
MEN1 O00255 2/20 0.38
MPO P05164 1/20 0.38
HIF1A Q16665 1/20 0.38
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
GRIK1 P39086 1/20 0.37
GRIA1 P42261 1/20 0.37

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
SCHEMBL8001783 1.00 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2GRM2KMT2A
SCHEMBL29022742 0.89 SLC7A5 (0.41) SLC7A5CYP3A4CYP1A2KMT2AKDM4E
SCHEMBL30443813 0.89 SLC7A5 (0.41) SLC7A5CYP3A4CYP1A2KMT2AKDM4E
SCHEMBL31369905 0.87 SLC7A5 (0.44) SLC7A5CYP3A4CYP1A2KMT2AKDM4E
SCHEMBL233540 0.85 SLC7A5 (0.39) SLC7A5CYP3A4CYP1A2KMT2AKDM4E
SCHEMBL29022786 0.85 SLC7A5 (0.39) SLC7A5CYP3A4CYP1A2KMT2AKDM4E
SCHEMBL31369387 0.84 SLC7A5 (0.47) SLC7A5CYP3A4CYP1A2KMT2AKDM4E
SCHEMBL263447 0.83 SLC7A5 (0.37) SLC7A5CYP3A4CYP1A2KMT2AKDM4E
SCHEMBL4453493 0.81 SLC7A5 (0.36) SLC7A5CYP3A4CYP1A2KMT2AKDM4E
SCHEMBL4453499 0.81 SLC7A5 (0.36) SLC7A5CYP3A4CYP1A2KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022140565-A1 METHODS AND MATERIALS FOR ASSESSING RADIATION EXPOSURE NUTECH VENTURES (US) 2022-06-30 WO claimed
US-20240099955-A1 SKINCARE COMPOSITIONS AND METHODS OF USE THEREOF HTL BIOTECHNOLOGY INNOVATION INC. 2024-03-28 US disclosed
WO-2022140565-A1 METHODS AND MATERIALS FOR ASSESSING RADIATION EXPOSURE NUTECH VENTURES (US) 2022-06-30 WO disclosed
EP-2463654-B1 Compositions and methods for modeling saccharomyces cerevisiae metabolism UNIV CALIFORNIA (US) 2020-06-03 EP disclosed
EP-2463654-A1 Compositions and methods for modeling saccharomyces cerevisiae metabolism The Regents of The University of California (US) 2012-06-13 EP disclosed
US-8170852-B2 Data structures and methods for modeling Saccharomyces cerevisiae metabolism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-01 US disclosed
EP-2434421-A2 Compositions and methods for modeling saccharomyces cerevisiae metabolism The Regents of The University of California (US) 2012-03-28 EP disclosed
US-20100280803-A1 Compositions and Methods for Modeling Saccharomyces cerevisiae Metabolism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-11-04 US disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
US-7751981-B2 Articles of manufacture and methods for modeling Saccharomyces cerevisiae metabolism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-06 US disclosed
US-6020139-A S-adenosyl methionine regulation of metabolic pathways and its use in diagnosis and therapy ORIDIGM CORPORATION (US) 2000-02-01 US disclosed