SCHEMBL4557119

SCHEMBL4557119

O=C1OCCOC(=O)c2cc1ccc2[S-].[Na+]

nearest known ligand 0.33

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 10)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 2/20 0.33
PTPRC P08575 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
LMNA P02545 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4378541 0.76 MAOA (0.38) PRF1PTPRCMAOAMAOBLMNA
SCHEMBL5009684 0.73 ALOX5 (0.43) PRF1MAOAMAOBLMNAKDM4E
SCHEMBL17628649 0.72 ITGB2 (0.43) PRF1MAOAMAOBLMNAKDM4E
SCHEMBL3874923 0.72 ITGB2 (0.43) PRF1MAOAMAOBLMNAKDM4E
SCHEMBL22419 0.72 ITGB2 (0.43) PRF1MAOAMAOBLMNAKDM4E
SCHEMBL5520002 0.72 PRF1 (0.38) PRF1PTPRCMAOAMAOBLMNA
SCHEMBL2232672 0.71 KMT2A (0.36) LMNAKDM4EALDH1A1HTT
SCHEMBL36556 0.71 GSTP1 (0.45) KDM4EALDH1A1MAPT
SCHEMBL7108757 0.71 MAOA (0.46) PRF1PTPRCMAOAMAOBLMNA
SCHEMBL102784 0.71 ITGB2 (0.38) LMNAKDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553511-B2 Hydrophilic coatings for medical implements LIFESCAN, INC. (US) 2009-06-30 US claimed
US-20060078587-A1 Hydrophilic coatings for medical implements CILAG GMBH INTERNATIONAL (CH) 2006-04-13 US claimed
US-7015262-B2 Hydrophilic coatings for medical implements LIFESCAN, INC. (US) 2006-03-21 US claimed
US-20030207987-A1 Hydrophilic coatings for medical implements LIFESCAN IP HOLDINGS, LLC 2003-11-06 US claimed
US-7553511-B2 Hydrophilic coatings for medical implements LIFESCAN, INC. (US) 2009-06-30 US disclosed
EP-1358896-B1 Hydrophilic coating for medical needles LIFESCAN INC (US) 2006-12-27 EP disclosed
US-20060078587-A1 Hydrophilic coatings for medical implements CILAG GMBH INTERNATIONAL (CH) 2006-04-13 US disclosed
US-7015262-B2 Hydrophilic coatings for medical implements LIFESCAN, INC. (US) 2006-03-21 US disclosed
US-20030207987-A1 Hydrophilic coatings for medical implements LIFESCAN IP HOLDINGS, LLC 2003-11-06 US disclosed
EP-1358896-A1 Hydrophilic coating for medical implements Lifescan, Inc. (US) 2003-11-05 EP disclosed