SCHEMBL258035

SCHEMBL258035

CCCCCCCCCCCCC(O)(O)CCOS(=O)(=O)[O-].[Na+]

nearest known ligand 0.62

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 8/20 0.38
CA2 known ✓ P00918 8/20 0.38
CA12 known ✓ O43570 3/20 0.38
CA4 known ✓ P22748 2/20 0.38
FDPS known ✓ P14324 8/20 0.37
RECQL P46063 2/20 0.62
GLA P06280 1/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
EPHX2 P34913 1/20 0.62
BLM P54132 1/20 0.62
CA9 Q16790 7/20 0.38
CA7 P43166 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA3 P07451 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
SMPD1 P17405 1/20 0.38

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
SCHEMBL258083 0.83 CA1 (0.40) RECQLGLAHPGDTSHRMAPK1
SCHEMBL9094985 0.81 RECQL (0.81) RECQLGLAHPGDTSHRMAPK1
SCHEMBL30223749 0.80 RECQL (0.96) RECQLGLAHPGDTSHRMAPK1
Hydrogen Peroxide SCHEMBL27570766 0.78 RECQL (0.92) RECQLGLAHPGDTSHRMAPK1
Methyl Alcohol SCHEMBL27641426 0.78 RECQL (0.92) RECQLGLAHPGDTSHRMAPK1
SCHEMBL29029420 0.78 RECQL (0.76) RECQLGLAHPGDTSHRMAPK1
SCHEMBL23387500 0.78 RECQL (1.00) RECQLGLAHPGDTSHRMAPK1
SCHEMBL22390687 0.78 RECQL (1.00) RECQLGLAHPGDTSHRMAPK1
SCHEMBL22390632 0.78 RECQL (1.00) RECQLGLAHPGDTSHRMAPK1
SCHEMBL22390647 0.78 RECQL (1.00) RECQLGLAHPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968607-B2 Cosmetics 1-isostearylglycerol-3-Sulfate Sodium Salt, used for constriction of keratinocytes; aging resistance KOA CORPORATION (JP) 2011-06-28 US disclosed
US-20080234390-A1 SKIN PORE MINIMIZERS AND SKIN ELASTICITY IMPROVERS KAO CORPORATION (JP) 2008-09-25 US disclosed
US-20040009140-A1 Skin pore minimizers and skin elasticity improvers KAO CORPORATION (JP) 2004-01-15 US disclosed
EP-1325737-A1 SKIN PORE MINIMIZERS AND SKIN ELASTICITY IMPROVERS Kao Corporation (JP) 2003-07-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040009140-A1 Skin pore minimizers and skin elasticity improvers CUTA, DSG1, OGA CA1 3912/4885CA2 1387/4885CA12 3066/4885
US-20080234390-A1 SKIN PORE MINIMIZERS AND SKIN ELASTICITY IMPROVERS DSG1, CUTA, OGA CA1 3615/4885CA2 1275/4885CA12 2480/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.