SCHEMBL2384964

SCHEMBL2384964

O=S(=O)([O-])CCCCCCCCCCO.[Na+]

nearest known ligand 0.50

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 6/20 0.41
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
TSHR P16473 3/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
THPO P40225 1/20 0.50
HBB P68871 1/20 0.50
PMP22 Q01453 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
BBOX1 O75936 2/20 0.41
ENPEP Q07075 1/20 0.39
EPHX2 P34913 1/20 0.39
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL2384321 1.00 ALDH1A1 (0.50) ALDH1A1LMNATSHRGMNNTP53
SCHEMBL2383935 1.00 ALDH1A1 (0.50) ALDH1A1LMNATSHRGMNNTP53
SCHEMBL362292 1.00 ALDH1A1 (0.50) ALDH1A1LMNATSHRGMNNTP53
SCHEMBL2384441 1.00 ALDH1A1 (0.50) ALDH1A1LMNATSHRGMNNTP53
SCHEMBL4412723 1.00 ALDH1A1 (0.50) ALDH1A1LMNATSHRGMNNTP53
SCHEMBL10885084 1.00 ALDH1A1 (0.50) ALDH1A1LMNATSHRGMNNTP53
SCHEMBL29271944 1.00 ALDH1A1 (0.50) ALDH1A1LMNATSHRGMNNTP53
SCHEMBL2384744 1.00 ALDH1A1 (0.50) ALDH1A1LMNATSHRGMNNTP53
Bromide SCHEMBL31299733 0.97 ALDH1A1 (0.48) ALDH1A1LMNATSHRGMNNTP53
SCHEMBL193289 0.97 ALDH1A1 (0.52) ALDH1A1LMNATSHRGMNNTP53

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057217-B1 BARIUM SULFATE-CONTAINING COMPOSITE SACHTLEBEN CHEMIE GMBH (DE) 2017-02-22 EP claimed
CN-101631825-A The matrix material of barium sulfate-containing SACHTLEBEN CHEMIE GMBH 2010-01-20 CN claimed
US-7645334-B2 Barium sulfate SACHTLEBEN CHEMIE GMBH (DE) 2010-01-12 US claimed
US-20090326114-A1 BARIUM SULFATE-CONTAINING COMPOSITE SACHTLEBEN CHEMIE GMBH (DE) 2009-12-31 US claimed
US-20090318594-A1 BARIUM SULFATE-CONTAINING COMPOSITE SACHTLEBEN CHEMIE GMBH (DE) 2009-12-24 US claimed
CN-101583658-A Barium sulfate-containing composite SACHTLEBEN CHEMIE GMBH (DE) 2009-11-18 CN claimed
CN-101400744-A Barium sulfate SACHTLEBEN CHEMIE GMBH (DE) 2009-04-01 CN claimed
US-20080314291-A1 Barium Sulfate SACHTLEBEN CHEMIE GMBH (DE) 2008-12-25 US claimed
US-8013049-B2 Method for producing core-shell type highly liquid absorbent resin particles DAINIPPON INK AND CHEMICALS, INC. (JP) 2011-09-06 US disclosed
EP-1669381-B1 METHOD FOR PRODUCING CORE-SHELL HIGH LIQUID-ABSORBING RESIN PARTICLE DAINIPPON INK & CHEMICALS (JP) 2010-10-13 EP disclosed
US-20100189940-A1 TITANIUM DIOXIDE-CONTAINING COMPOSITE SACHTLEBEN CHEMIE GMBH (DE) 2010-07-29 US disclosed
CN-101679770-A Transparent zinc sulphide having a high specific surface area SACHTLEBEN CHEMIE GMBH 2010-03-24 CN disclosed
US-20100063164-A1 TRANSPARENT ZINC SULPHIDE HAVING A HIGH SPECIFIC SURFACE AREA SACHTLEBEN CHEMIE GMBH (DE) 2010-03-11 US disclosed
US-20100015437-A1 TITANIUM DIOXIDE-CONTAINING COMPOSITE SACHTLEBEN CHEMIE GMBH (DE) 2010-01-21 US disclosed
EP-0416407-A1 Thermoplastic moulding compositions of polycarbonate, polyalkylene terephthalate, specific barium sulfate, and possibly elastomers BAYER AG (DE) 1991-03-13 EP disclosed
EP-0371530-A1 Process for manufacturing barium sulphate with a variable morphology METALLGESELLSCHAFT Aktiengesellschaft (DE) 1990-06-06 EP disclosed
US-4894093-A PRECIPITATION, PIGMENTS METALLGESELLSCHAFT AKTIENGESELLSCHAFT (DE) 1990-01-16 US disclosed
EP-0335159-A1 Thermoplastic moulding compositions BAYER AG (DE) 1989-10-04 EP disclosed
CN-88103235-A Preparation method with barium sulfate of chemically reactive surface 1988-12-21 CN disclosed
EP-0293622-A1 Process for preparing barium sulphate having a chemically reactive surface METALLGESELLSCHAFT AG (DE) 1988-12-07 EP disclosed