SCHEMBL5752186

SCHEMBL5752186

O=C(O)[C@@H](NCl)C(=O)c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.50
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA12 O43570 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA3 P07451 1/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
CPT1B Q92523 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL5137955 0.83 TDP1 (0.48) CA1CA12CA9LMNAMAPT
SCHEMBL20340201 0.83 TDP1 (0.48) CA1CA12CA9LMNAMAPT
SCHEMBL3799471 0.82 CA1 (0.45) PDPK1CA1CA2CA12CA7
SCHEMBL20340037 0.82 CA1 (0.45) PDPK1CA1CA2CA12CA7
SCHEMBL27781150 0.82 CA1 (0.45) PDPK1CA1CA2CA12CA7
SCHEMBL5808414 0.82 CA1 (0.45) PDPK1CA1CA2CA12CA7
SCHEMBL16816938 0.74 AKR1B1 (0.40) PDPK1LMNAMAPTHTTHSD17B10
SCHEMBL28970873 0.72 CA1 (0.52) PDPK1CA1CA2CA12CA7
SCHEMBL27685854 0.72 PDPK1 (0.87) PDPK1CA1CA2CA12CA7
SCHEMBL1223467 0.71 CA1 (0.50) PDPK1CA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018126183-A2 HER3 PEPTIDES FOR IMAGING AND RADIOTHERAPY THE GENERAL HOSPITAL CORPORATION (US) 2018-07-05 WO disclosed
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-1658264-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2006-05-24 EP disclosed
EP-1542709-A2 PEPTIDE AGGREGATES EPIX Pharmaceuticals, Inc. (US) 2005-06-22 EP disclosed
WO-2004113277-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-12-29 WO disclosed
WO-2004013161-A2 PEPTIDE AGGREGATES EPIX PHARMACEUTICALS, INC. (US) 2004-02-12 WO disclosed