SCHEMBL873668

SCHEMBL873668

O=C([O-])CC(CC(=O)[O-])(OC(=O)CCC(=O)O)C(=O)[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.38

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 13)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 2/20 0.38
EGLN1 Q9GZT9 3/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
LMNA P02545 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.32
SLC13A3 Q8WWT9 1/20 0.32
OR51E2 Q9H255 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
SCHEMBL16393916 0.79 CA4 (0.46) CA4
D-Glutamate SCHEMBL7568438 0.78 GRM8 (0.37) LMNA
SCHEMBL3219620 0.78 CA4 (0.44) CA4
SCHEMBL7094704 0.77 CA4 (0.40) CA4
SCHEMBL149815 0.76 ALDH1A1 (0.48) CA4LMNAALDH1A1
SCHEMBL29234711 0.76 CA4 (0.55) CA4ALDH1A1
SCHEMBL8442297 0.76 CA4 (0.46) CA4
Water SCHEMBL7558083 0.75 ALDH1A1 (0.47) CA4LMNAALDH1A1
SCHEMBL1938661 0.75 ALDH1A1 (0.47) CA4LMNAALDH1A1
SCHEMBL2793489 0.75 TDP1 (0.44) CA4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619313-B1 METHOD OF RECOMBINANT MACROMOLECULAR PRODUCTION DA YU ENTPR L L C (US) 2021-11-10 EP disclosed
US-10119159-B2 Method of recombinant macromolecular production DA YU ENTERPRISES, L.L.C. (US) 2018-11-06 US disclosed
US-20180112246-A1 METHOD OF RECOMBINANT MACROMOLECULAR PRODUCTION DA YU ENTERPRISES, LLC 2018-04-26 US disclosed
US-9856501-B2 Method of recombinant macromolecular production DA YU ENTERPRISES, L.L.C. (US) 2018-01-02 US disclosed
US-20160244797-A1 METHOD OF RECOMBINANT MACROMOLECULAR PRODUCTION DA YU ENTERPRISES, L.L.C. 2016-08-25 US disclosed
US-9267164-B2 Method of recombinant macromolecular production DA YU ENTERPRISES, L.L.C. (US) 2016-02-23 US disclosed
EP-2619313-A1 METHOD OF RECOMBINANT MACROMOLECULAR PRODUCTION Da Yu Enterprises, L.L.C. (US) 2013-07-31 EP disclosed
US-20130183685-A1 METHOD OF RECOMBINANT MACROMOLECULAR PRODUCTION DA YU ENTERPRISES, L.L.C. (US) 2013-07-18 US disclosed
WO-2012040550-A1 METHOD OF RECOMBINANT MACROMOLECULAR PRODUCTION DA YU ENTERPRISES, L.L.C. (US) 2012-03-29 WO disclosed