SCHEMBL7064730

SCHEMBL7064730

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

nearest known ligand 0.62

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 18)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 4/20 0.47
CA1 known ✓ P00915 3/20 0.44
FAHD1 Q6P587 1/20 0.47
FFAR3 O14843 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
LDHA P00338 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL3851900 1.00
SCHEMBL1332396 1.00
Potassium Ion SCHEMBL3483407 0.96
SCHEMBL9342808 0.93 FFAR3 (0.41) CA4FAHD1FFAR3HDAC3HDAC1
SCHEMBL4633014 0.93 FFAR3 (0.41) CA4FAHD1FFAR3HDAC3HDAC1
Pyruvate SCHEMBL31434671 0.86 CA4 (0.50) CA4FAHD1FFAR3HDAC3HDAC1
Propionic Acid SCHEMBL21798886 0.81 FFAR3 (0.56) CA4FAHD1FFAR3HDAC3HDAC1
Propionic Acid SCHEMBL106190 0.77
Propionic Acid SCHEMBL4896693 0.77 FFAR3 (0.53) CA4FAHD1FFAR3HDAC3HDAC1
Propionic Acid SCHEMBL29493216 0.77 FFAR3 (0.53) CA4FAHD1FFAR3HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0694614-B1 Process for producing L-amino acid KYOWA HAKKO KOGYO KK (JP) 2003-06-04 EP claimed
JP-8009982-A None JP disclosed
EP-0694614-B1 Process for producing L-amino acid KYOWA HAKKO KOGYO KK (JP) 2003-06-04 EP disclosed
US-5629180-A BIOSYNTHESIS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-13 US disclosed
EP-0694614-A1 Process for producing L-amino acid KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-01-31 EP disclosed
JP-H089982-A PRODUCTION OF L-AMINO ACID BY FERMENTATION KYOWA HAKKO KOGYO CO LTD 1996-01-16 JP disclosed