SCHEMBL4662172

SCHEMBL4662172

O=S(=O)([O-])CCCSCCO.[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
CA2 known ✓ P00918 3/20 0.32
CA12 known ✓ O43570 1/20 0.32
CA1 known ✓ P00915 1/20 0.32
TDP1 Q9NUW8 1/20 0.43
GMNN O75496 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
THPO P40225 1/20 0.43
HBB P68871 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BBOX1 O75936 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
ENPEP Q07075 1/20 0.34
CA7 P43166 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
SCHEMBL28899359 0.89 GMNN (0.52) GMNNALDH1A1LMNATP53TSHR
SCHEMBL27175717 0.86 GMNN (0.50) GMNNALDH1A1LMNATP53TSHR
SCHEMBL3890653 0.86 GMNN (0.50) GMNNALDH1A1LMNATP53TSHR
SCHEMBL29283222 0.78 KDM4E (0.52) GMNNALDH1A1LMNATP53TSHR
SCHEMBL29283218 0.78 KDM4E (0.52) GMNNALDH1A1LMNATP53TSHR
SCHEMBL14856462 0.77 TDP1 (0.48) TDP1LMNA
SCHEMBL4772745 0.77 GMNN (0.41) GMNNALDH1A1LMNATP53TSHR
SCHEMBL918188 0.76
SCHEMBL3424157 0.76 ALDH1A1 (0.55) GMNNALDH1A1LMNATP53TSHR
SCHEMBL4662177 0.76 TDP1 (0.46) TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004404-B1 COPPER ELECTROPLATING OF PRINTING CYLINDERS MACDERMID INC (US) 2013-04-17 EP claimed
EP-2004404-A2 COPPER ELECTROPLATING OF PRINTING CYLINDERS MacDermid, Incorporated (US) 2008-12-24 EP claimed
WO-2007120365-A2 COPPER ELECTROPLATING OF PRINTING CYLINDERS MACDERMID, INCORPORATED (US) 2007-10-25 WO claimed
US-7153408-B1 Copper electroplating of printing cylinders CITIBANK, N.A. 2006-12-26 US claimed
EP-2004404-B1 COPPER ELECTROPLATING OF PRINTING CYLINDERS MACDERMID INC (US) 2013-04-17 EP disclosed
EP-2004404-A2 COPPER ELECTROPLATING OF PRINTING CYLINDERS MacDermid, Incorporated (US) 2008-12-24 EP disclosed
WO-2007120365-A2 COPPER ELECTROPLATING OF PRINTING CYLINDERS MACDERMID, INCORPORATED (US) 2007-10-25 WO disclosed
US-7153408-B1 Copper electroplating of printing cylinders CITIBANK, N.A. 2006-12-26 US disclosed