SCHEMBL2963004

SCHEMBL2963004

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

nearest known ligand 0.56

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
CA2 known ✓ P00918 1/20 0.56
CA4 known ✓ P22748 3/20 0.42
CA1 known ✓ P00915 2/20 0.41
CPT2 P23786 1/20 0.45
CPT1A P50416 1/20 0.45
SLC22A16 Q86VW1 1/20 0.38
CTSL P07711 1/20 0.36
FFAR3 O14843 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CASP1 P29466 1/20 0.33

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
SCHEMBL7898973 0.79
SCHEMBL10657948 0.74
SCHEMBL10657207 0.74
SCHEMBL287782 0.74
SCHEMBL448119 0.74
3-Methylbutanoic Acid SCHEMBL123994 0.73
SCHEMBL10902049 0.73 CA2 (0.68) CA2CPT2CPT1ACA4CA1
3-Methylbutanoic Acid SCHEMBL1332976 0.73
SCHEMBL8348664 0.72 GABRP (0.42)
Ammonia Solution, Strong SCHEMBL10701839 0.72 TDP1 (0.43)

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-0283174-A2 Method for processing lightsensitive silver halide color photographic material improved in color restoration KONICA CORPORATION (JP) 1988-09-21 EP claimed
US-7767092-B2 Adding an inorganic metal salt to the colored effluent to form a precipitation; controlling the pH with carboxylic acid; eliminating the precipitation from the colored effluent KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2010-08-03 US disclosed
US-20080110835-A1 DECOLORIZATION METHOD OF COLORED EFFLUENT KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2008-05-15 US disclosed
US-20040170832-A1 Particulate, linear, sheet-like, or three-dimensional structures which comprise, at least on their surface, a hydrophilicizing amount of at least one polymer which has urethane groups and/or urea groups, and also anionic groups BASF AKTIENGESELLSCHAFT (DE) 2004-09-02 US disclosed
EP-0283174-A2 Method for processing lightsensitive silver halide color photographic material improved in color restoration KONICA CORPORATION (JP) 1988-09-21 EP disclosed