SCHEMBL7034236

SCHEMBL7034236

NCCCCC(NC(=O)c1ccc(O)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 5/20 0.60
ERAP2 Q6P179 4/20 0.60
HPGDS O60760 1/20 0.58
CA2 P00918 8/20 0.54
CA1 P00915 4/20 0.54
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
ERAP1 Q9NZ08 2/20 0.52
FOLH1 Q04609 2/20 0.50
CTSB P07858 1/20 0.49
C3AR1 Q16581 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48

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
SCHEMBL7034241 1.00 LNPEP (0.60) LNPEPERAP2HPGDSCA2CA1
SCHEMBL9716722 0.95 ERAP2 (0.55) LNPEPERAP2HPGDSCA2CA1
SCHEMBL9716730 0.95 ERAP2 (0.55) LNPEPERAP2HPGDSCA2CA1
SCHEMBL9716717 0.95 ERAP2 (0.55) LNPEPERAP2HPGDSCA2CA1
SCHEMBL9716710 0.88 ERAP2 (0.55) LNPEPERAP2HPGDSCA2CA1
SCHEMBL9716715 0.88 ERAP2 (0.55) LNPEPERAP2HPGDSCA2CA1
SCHEMBL607886 0.88 ITGB3 (0.60) LNPEPERAP2HPGDSCA2CA1
SCHEMBL607885 0.88 ITGB3 (0.60) LNPEPERAP2HPGDSCA2CA1
SCHEMBL24518200 0.87 CA2 (0.55) LNPEPERAP2HPGDSCA2CA1
SCHEMBL17104380 0.87 HPGDS (0.54) LNPEPERAP2HPGDSCA2CA1

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
EP-0822827-B1 ANTAGONISTS OF LHRH UNIV TEXAS (US) 2003-03-05 EP disclosed
EP-0822827-A4 ANTAGONISTS OF LHRH UNIV TEXAS (US) 2001-07-11 EP disclosed
EP-0822827-A1 ANTAGONISTS OF LHRH BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-02-11 EP disclosed
WO-1996033729-A1 ANTAGONISTS OF LHRH BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-10-31 WO disclosed
EP-0377665-B1 EFFECTIVE ANTAGONISTS OF THE LUTEINIZING HORMONE RELEASING HORMONE WHICH RELEASE NEGLIGIBLE HISTAMINE UNIV TEXAS (US) 1995-07-12 EP disclosed
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
EP-0377665-A1 EFFECTIVE ANTAGONISTS OF THE LUTEINIZING HORMONE RELEASING HORMONE WHICH RELEASE NEGLIGIBLE HISTAMINE. UNIV TEXAS (US) 1990-07-18 EP disclosed
WO-1989009786-A1 PEPTIDE DERIVATIVES SANDOZ AG (CH) 1989-10-19 WO disclosed
WO-1989001944-A1 EFFECTIVE ANTAGONISTS OF THE LUTEINIZING HORMONE RELEASING HORMONE WHICH RELEASE NEGLIGIBLE HISTAMINE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1989-03-09 WO disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed