SCHEMBL4405416

SCHEMBL4405416

CC(C)(C)C(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CYP2C19 P33261 1/20 0.34
AKT1 P31749 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.32
PLK1 P53350 2/20 0.32
PTGS1 P23219 4/20 0.32
PTGS2 P35354 4/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL18356669 1.00 MGLL (0.42) MGLLSMN1; SMN2HPGDHTTCA12
SCHEMBL17721385 0.91 MGLL (0.43) MGLLSMN1; SMN2HPGDHTTCA12
SCHEMBL26412334 0.88 MGLL (0.40) MGLLSMN1; SMN2HPGDHTTCA12
SCHEMBL10018583 0.87 MGLL (0.55) MGLLSMN1; SMN2HPGDHTTCA12
SCHEMBL29441383 0.87 MGLL (0.55) MGLLSMN1; SMN2HPGDHTTCA12
SCHEMBL24621693 0.87 MGLL (0.55) MGLLSMN1; SMN2HPGDHTTCA12
SCHEMBL29869032 0.87 MGLL (0.55) MGLLSMN1; SMN2HPGDHTTCA12
SCHEMBL29869052 0.87 MGLL (0.55) MGLLSMN1; SMN2HPGDHTTCA12
SCHEMBL29608026 0.87 MGLL (0.55) MGLLSMN1; SMN2HPGDHTTCA12
SCHEMBL30259429 0.87 MGLL (0.55) MGLLSMN1; SMN2HPGDHTTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156778-B2 Cross-coupled peptide nucleic acids for detection of nucleic acids of pathogens THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-10-13 US disclosed
US-20120322053-A1 CROSS-COUPLED PEPTIDE NUCLEIC ACIDS FOR DETECTION OF NUCLEIC ACIDS OF PATHOGENS APPELLA DANIEL H (US) 2012-12-20 US disclosed
US-20120107794-A1 Cross-Coupled Peptide Nucleic Acids for Detection of Nucleic Acids of Pathogens THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-05-03 US disclosed