SCHEMBL2319007

SCHEMBL2319007

O=C([O-])CNCC(CC(=O)[O-])(CC(=O)[O-])NCC(=O)[O-].[Fe+3].[Na+]

nearest known ligand 0.39

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 1)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 2/20 0.39

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
SCHEMBL6310261 0.98 CA4 (0.35) CA4
SCHEMBL917184 0.98 CA4 (0.35) CA4
SCHEMBL15251307 0.96 CA4 (0.34) CA4
Ammonia Solution, Strong SCHEMBL10493453 0.96 CA4 (0.34) CA4
Potassium Ion SCHEMBL18173761 0.94 CA12 (0.32) CA4
SCHEMBL4398018 0.94 CA4 (0.31) CA4
SCHEMBL3765845 0.92 CA4 (0.30) CA4
SCHEMBL320905 0.87 CA4 (0.31) CA4
Ethylene Glycol SCHEMBL9640310 0.82
SCHEMBL1832568 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643864-B1 AIDING OF COGNITIVE FUNCTION UNILEVER NV (NL) 2011-08-10 EP disclosed
US-20070036870-A1 Aiding of cognitive function CONOPCO, INC. D/B/A UNILEVER 2007-02-15 US disclosed
EP-1716766-A1 Aiding of cognitive function UNILEVER N.V. (NL) 2006-11-02 EP disclosed
EP-1643864-A1 AIDING OF COGNITIVE FUNCTION UNILEVER N.V. (NL) 2006-04-12 EP disclosed
WO-2005013724-A1 AIDING OF COGNITIVE FUNCTION UNILEVER N.V. (NL) 2005-02-17 WO disclosed