SCHEMBL2990428

SCHEMBL2990428

O=C([O-])c1cc(S(=O)(=O)O)cc(C(=O)[O-])c1S(=O)(=O)O.[Na+].[Na+]

nearest known ligand 0.43

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 20)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.32
CA2 known ✓ P00918 1/20 0.32
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
LMNA P02545 1/20 0.37
ING2 Q9H160 1/20 0.36
TSHR P16473 3/20 0.35
NT5E P21589 2/20 0.35
CASP6 P55212 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
POLB P06746 1/20 0.33
NSD2 O96028 1/20 0.33
GAA P10253 1/20 0.33
PLCG1 P19174 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
SCHEMBL3442546 0.82 CA1 (0.38) ALDH1A1HSD17B10KDM4EHPGDTDP1
SCHEMBL2928492 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EHPGDLCK
SCHEMBL2988901 0.78 LCK (0.56) ALDH1A1HSD17B10KDM4EHPGDLCK
SCHEMBL143946 0.77 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL2990424 0.77 LCK (0.54) ALDH1A1HSD17B10KDM4EHPGDLCK
Sulfosalicylic SCHEMBL30362977 0.76 ALDH1A1 (0.68) ALDH1A1HSD17B10KDM4EHPGDLMNA
Sulfosalicylic SCHEMBL1503559 0.76 ALDH1A1 (0.68) ALDH1A1HSD17B10KDM4EHPGDLMNA
Sulfosalicylic SCHEMBL625073 0.76 ALDH1A1 (0.68) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL8899330 0.76 ALDH1A1 (0.38) ALDH1A1HSD17B10KDM4EHPGDLCK
SCHEMBL6667238 0.75 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EHPGDLCK

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
US-7781138-B2 Low melt toners and processes thereof XEROX CORPORATION (US) 2010-08-24 US disclosed
US-20100021841-A1 LOW MELT TONERS AND PROCESSES THEREOF XEROX CORPORATION (US) 2010-01-28 US disclosed
US-7615328-B2 Low melt toners and processes thereof XEROX CORPORATION (US) 2009-11-10 US disclosed
US-20090061349-A1 LOW MELT TONERS AND PROCESSES THEREOF XEROX CORPORATION (US) 2009-03-05 US disclosed
US-7402371-B2 Low melt toners and processes thereof XEROX CORPORATION (US) 2008-07-22 US disclosed
US-20060063086-A1 Low melt toners and processes thereof XEROX CORPORATION 2006-03-23 US disclosed