SCHEMBL5555205

SCHEMBL5555205

O=C(O)[C@@H](NF)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CES1 P23141 5/20 0.45
CES2 O00748 3/20 0.45
LMNA P02545 1/20 0.45
MDM2 Q00987 1/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
ALOX15 P16050 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL5808414 0.84 CA1 (0.45) CES2LMNARAB9AKMT2AMEN1
SCHEMBL20340037 0.84 CA1 (0.45) CES2LMNARAB9AKMT2AMEN1
SCHEMBL5137955 0.81 TDP1 (0.48) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL20340201 0.81 TDP1 (0.48) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL17785195 0.79 TDP1 (0.47) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL851629 0.79 TDP1 (0.47) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL15984954 0.79 TDP1 (0.47) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL7440566 0.79 TDP1 (0.47) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL10666925 0.78 ATM (0.49) TDP1L3MBTL1CES1CES2LMNA
SCHEMBL11404130 0.78 ATM (0.49) TDP1L3MBTL1CES1CES2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794645-A1 CATIONIC PEPTIDES AND USE OF SUCH PEPTIDES FOR INHIBITING EXOTOXIN PRODUCTION Regents of the University of Minnesota (US) 2014-10-29 EP disclosed
WO-2013096823-A1 CATIONIC PEPTIDES AND USE OF SUCH PEPTIDES FOR INHIBITING EXOTOXIN PRODUCTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-06-27 WO disclosed
EP-1841460-A2 THERAPEUTIC FORMULATIONS FOR THE TREATMENT OF BETA-AMYLOID RELATED DISEASES Neurochem (International) Limited (CH) 2007-10-10 EP disclosed
WO-2007049098-A2 THERAPEUTIC FORMULATIONS FOR THE TREATMENT OF BETA-AMYLOID RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-05-03 WO disclosed
WO-2006015318-A2 ANTIBODY CONJUGATED TO A DRUG MOIETY VIA A POPTIDIC LINKER BIOGEN IDEC INC. (US) 2006-02-09 WO disclosed
WO-2000011022-A1 ANTI-CANCER COMPOUNDS AND METHODS RELATED THERETO STEWART JOHN M (US) 2000-03-02 WO disclosed