SCHEMBL5514879

SCHEMBL5514879

NCC(CC(=O)[O-])(CC(=O)O)NCC(=O)[O-].[Na+].[Na+]

nearest known ligand 0.34

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 2)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 2/20 0.32
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL5698427 0.93 CA4 (0.37) CA4
SCHEMBL94667 0.82 KDM4E (0.43) KDM4E
Ammonia Solution, Strong SCHEMBL5722441 0.81 KDM4E (0.41) KDM4E
SCHEMBL4932030 0.79 CA4 (0.31) CA4
SCHEMBL320905 0.76 CA4 (0.31) CA4
SCHEMBL10694560 0.73 KDM4E (0.35) KDM4E
Ethylene Glycol SCHEMBL9640310 0.72
SCHEMBL543202 0.72
SCHEMBL917184 0.72 CA4 (0.35) CA4
SCHEMBL6759765 0.71 CA4 (0.32) CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202060-B2 Generating amino acid for use in foods and animal feeds; prepare nutrient broth, inoculate with microorganism coding enzymatic polypeptides associated with biosynthesis of amino acids, express enzymes, ferment and recover amino acids KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-04-10 US disclosed
US-20030059904-A1 Process for producing l-amino acids via fermentation method KYOWA HAKKO BIO CO., LTD. (JP) 2003-03-27 US disclosed
EP-1275729-A1 PROCESS FOR PRODUCING L-AMINO ACID VIA FERMENTATION METHOD KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-01-15 EP disclosed