SCHEMBL6757142

SCHEMBL6757142

NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CI

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
ACE P12821 3/20 0.51
HPGDS O60760 4/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
NPY4R P50391 1/20 0.45
NPY5R Q15761 1/20 0.45
SLC7A5 Q01650 1/20 0.45
FCER2 P06734 1/20 0.45
OPRD1 P41143 2/20 0.44
FOLH1 Q04609 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
CHRND Q07001 1/20 0.44

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
SCHEMBL4386989 0.87 PTPN2 (0.52) PTPN2PTPN1ACEHPGDSCA12
SCHEMBL5594950 0.87 PTPN2 (0.52) PTPN2PTPN1ACEHPGDSCA12
Hydrochloric Acid SCHEMBL12469709 0.86 PTPN2 (0.51) PTPN2PTPN1ACEHPGDSCA12
SCHEMBL13649440 0.85 HPGDS (0.56) PTPN1HPGDSFCER2
SCHEMBL7769146 0.85 ACE (0.62) ACECA1SLC7A5FOLH1NAALAD2
SCHEMBL7769148 0.85 ACE (0.62) ACECA1SLC7A5FOLH1NAALAD2
SCHEMBL14136194 0.84 GRIA1 (0.54) PTPN2PTPN1ACEHPGDSNPY1R
SCHEMBL20729856 0.84 PTPN2 (0.50) PTPN2PTPN1ACEHPGDSNPY1R
SCHEMBL26605060 0.84 OPRD1 (0.48) PTPN2PTPN1ACEHPGDSOPRD1
SCHEMBL26605068 0.84 OPRD1 (0.48) PTPN2PTPN1ACEHPGDSOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770740-B1 PEPTIDE- DNA CARRIER COMPOSITIONS AND CONDENSED PARTICLES WITH REDUCED TOXICITY AND INCREASED STABILITY; USED IN COMBINATION WITH BIOCOMPATIBLE MATRICES, CARRIERS AND/OR TARGETING AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2004-08-03 US disclosed
WO-2001004135-A2 CROSSLINKED DNA CONDENSATE COMPOSITIONS AND GENE DELIVERY METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2001-01-18 WO disclosed