SCHEMBL1065797

SCHEMBL1065797

NCC(=O)COP(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TPI1 P60174 2/20 0.48
PGD P52209 3/20 0.38
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
CA4 P22748 1/20 0.35
GABRR1 P24046 1/20 0.33
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL5485133 0.84 TPI1 (0.56) TPI1PGDPGK1PGK2LPAR3
SCHEMBL1533804 0.82 GABRR1 (0.35) TPI1GABRR1KDM4ELMNA
SCHEMBL27449368 0.81 LMNA (0.34) TPI1GABRR1KDM4ELMNA
SCHEMBL11529930 0.79 TPI1 (0.30) TPI1GABRR1
SCHEMBL2474974 0.77 TPI1 (0.50) TPI1PGDPGK1PGK2LPAR3
SCHEMBL43277 0.77 TPI1 (0.50) TPI1PGDPGK1PGK2LPAR3
SCHEMBL28466527 0.75 TPI1 (0.48) TPI1PGDPGK1PGK2LPAR3
SCHEMBL7059626 0.75 TPI1 (0.48) TPI1PGDPGK1PGK2LPAR3
SCHEMBL29156118 0.75 TPI1 (0.48) TPI1PGDPGK1PGK2LPAR3
Water SCHEMBL28701484 0.75 TPI1 (0.48) TPI1PGDPGK1PGK2LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011034263-A1 METHOD FOR PREDICTING A DRUG TARGET IN PATHOGENIC MICROORGANISMS USING AN ESSENTIAL METABOLITE 한국과학기술원 (KR) 2011-03-24 WO claimed
WO-2011034397-A2 METHOD FOR PREDICTING DRUG TARGETS AND SCREENING FOR DRUGS FOR PATHOGENIC MICROORGANISMS USING ESSENTIAL METABOLITES 한국과학기술원 (KR) 2011-03-24 WO claimed
US-20140162337-A1 ISOPRENE PRODUCTION USING THE DXP AND MVA PATHWAY THE GOODYEAR TIRE & RUBBER COMPANY (US) 2014-06-12 US disclosed
US-8507235-B2 Isoprene production using the DXP and MVA pathway DANISCO US INC. (US) 2013-08-13 US disclosed
EP-2443244-A1 IMPROVED ISOPRENE PRODUCTION USING THE DXP AND MVA PATHWAY Danisco US Inc. (US) 2012-04-25 EP disclosed
WO-2011034263-A1 METHOD FOR PREDICTING A DRUG TARGET IN PATHOGENIC MICROORGANISMS USING AN ESSENTIAL METABOLITE 한국과학기술원 (KR) 2011-03-24 WO disclosed
WO-2011034397-A2 METHOD FOR PREDICTING DRUG TARGETS AND SCREENING FOR DRUGS FOR PATHOGENIC MICROORGANISMS USING ESSENTIAL METABOLITES 한국과학기술원 (KR) 2011-03-24 WO disclosed
US-20110014672-A1 ISOPRENE PRODUCTION USING THE DXP AND MVA PATHWAY THE GOODYEAR TIRE & RUBBER COMPANY 2011-01-20 US disclosed
WO-2010148150-A1 IMPROVED ISOPRENE PRODUCTION USING THE DXP AND MVA PATHWAY DANISCO US INC. (US) 2010-12-23 WO disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
US-20050164335-A1 Methods and organisms for production of b6 vitamers OMNIGENE BIOPRODUCTS, INC. 2005-07-28 US disclosed
WO-2004035010-A2 METHODS AND ORGANISMS FOR PRODUCTION OF B6 VITAMERS BASF AKTIENGESELLSCHAFT (DE) 2004-04-29 WO disclosed
WO-2002068622-A2 CRYSTAL STRUCTURE INFORMATION OF PNP SYNTHASE AND THE USE THEREOF MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN (DE) 2002-09-06 WO disclosed