SCHEMBL5162312

SCHEMBL5162312

CCCCCCCC(=O)CC(=O)N[C@@H](CCO)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 13/20 0.61
SLC6A5 Q9Y345 2/20 0.50
HAO1 Q9UJM8 1/20 0.47
PLA2G2A P14555 2/20 0.44
PLA2G5 P39877 2/20 0.44
FAAH O00519 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 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
SCHEMBL133586 1.00 NOD1 (0.61) NOD1SLC6A5HAO1PLA2G2APLA2G5
SCHEMBL1712903 1.00 NOD1 (0.61) NOD1SLC6A5HAO1PLA2G2APLA2G5
SCHEMBL1449056 0.98 NOD1 (0.59) NOD1SLC6A5HAO1PLA2G2APLA2G5
SCHEMBL1449055 0.98 NOD1 (0.59) NOD1SLC6A5HAO1PLA2G2APLA2G5
Lactic Acid SCHEMBL28953041 0.94 NOD1 (0.56) NOD1SLC6A5HAO1PLA2G2APLA2G5
SCHEMBL22996019 0.89 NOD1 (0.77) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL5122358 0.89 NOD1 (0.77) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL17941648 0.89 NOD1 (0.77) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL9829330 0.89 NOD1 (0.77) NOD1SLC6A5FAAHMEN1MAPK1
SCHEMBL131586 0.89 NOD1 (0.77) NOD1SLC6A5FAAHMEN1MAPK1

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
US-20190221281-A1 METHODS AND SYSTEMS FOR QUANTIFYING GENE EXPRESSION IN SYNTHETIC GENE CIRCUITS AND FOR TUNING SYNTHETIC GENE CIRUITS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-07-18 US disclosed
EP-1470221-B1 RALSTONIA AHL-ACYLASE GENE AGENCY SCIENCE TECH & RES (SG) 2007-03-21 EP disclosed
US-7098014-B2 Ralstonia ahl-acylase gene ZHANG LIAN HUI 2006-08-29 US disclosed
US-20050155088-A1 Ralstonia ahl-acylase gene ZHANG LIAN H (SG) 2005-07-14 US disclosed
EP-1470221-A1 RALSTONIA AHL-ACYLASE GENE Agency for Science, Technology and Research (SG) 2004-10-27 EP disclosed
WO-2003068951-A1 RALSTONIA AHL-ACYLASE GENE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2003-08-21 WO disclosed