SCHEMBL21614

SCHEMBL21614

N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[Na+].[Na+]

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.41
PGD P52209 2/20 0.33
PAX8 Q06710 1/20 0.31

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
SCHEMBL2849450 0.84 MPI (0.59) MPIPGD
SCHEMBL165934 0.84 MPI (0.59) MPIPGD
SCHEMBL20718807 0.84 MPI (0.59) MPIPGD
SCHEMBL19393 0.84 MPI (0.59) MPIPGD
SCHEMBL158926 0.84 MPI (0.59) MPIPGD
Mannose 6-Phosphate SCHEMBL28885847 0.82 MPI (0.52) MPIPGD
Mannose 6-Phosphate SCHEMBL21632784 0.82 MPI (0.52) MPIPGD
Mannose 6-Phosphate SCHEMBL2387370 0.82 MPI (0.52) MPIPGD
Mannose 6-Phosphate SCHEMBL48152 0.82 MPI (0.52) MPIPGD
SCHEMBL2851628 0.81 MPI (0.43) MPIPGDPAX8

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
EP-2609149-B1 HIGHLY BIOCOMPATIBLE DUAL THERMOGELLING CHITOSAN/GLUCOSAMINE SALT COMPOSITIONS OLIGO MEDIC INC (CA) 2015-08-12 EP disclosed
US-8784850-B2 Highly biocompatible dual thermogelling chitosan/glucosamine salt composition OLIGO MEDIC INC (CA) 2014-07-22 US disclosed
US-20130266549-A1 HIGHLY BIOCOMPATIBLE DUAL THERMOGELLING CHITOSAN/GLUCOSAMINE SALT COMPOSITION OLIGO MEDIC INC (CA) 2013-10-10 US disclosed
US-8506972-B2 Highly biocompatible dual thermogelling chitosan/glucosamine salt compositions OLIGO MEDIC INC (CA) 2013-08-13 US disclosed
EP-2609149-A1 HIGHLY BIOCOMPATIBLE DUAL THERMOGELLING CHITOSAN/GLUCOSAMINE SALT COMPOSITIONS Oligo Medic Inc. (CA) 2013-07-03 EP disclosed
WO-2012024785-A1 HIGHLY BIOCOMPATIBLE DUAL THERMOGELLING CHITOSAN/GLUCOSAMINE SALT COMPOSITIONS OLIGO MEDIC INC. (CA) 2012-03-01 WO disclosed
US-20120052012-A1 HIGHLY BIOCOMPATIBLE DUAL THERMOGELLING CHITOSAN/GLUCOSAMINE SALT COMPOSITIONS OLIGO MEDIC INC. (CA) 2012-03-01 US disclosed