SCHEMBL9715188

SCHEMBL9715188

C=CCOC(=O)C(CC(N)=O)S(=O)(=O)[O-].C=CCOC(=O)C(CC(N)=O)S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.38

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 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL10607690 1.00 MAPT (0.36) MAPTCACNA1BAPBA1CYP3A4ALDH1A1
SCHEMBL1961120 0.85 CASP1 (0.34) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL3140306 0.85 TDP1 (0.37) MAPTCACNA1BAPBA1CYP3A4ALDH1A1
SCHEMBL2937130 0.85 CYP3A4 (0.32) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL45816 0.85 MAPT (0.39) MAPTCACNA1BAPBA1CYP3A4ALDH1A1
SCHEMBL10607687 0.83 MAPT (0.38) MAPTCACNA1BAPBA1CYP3A4ALDH1A1
SCHEMBL9715183 0.83 MAPT (0.38) MAPTCACNA1BAPBA1CYP3A4ALDH1A1
Ammonia Solution, Strong SCHEMBL1614584 0.83 MAPT (0.38) MAPTCACNA1BAPBA1CYP3A4ALDH1A1
Monoethanolamine SCHEMBL8988330 0.78 MAPT (0.34) MAPTCACNA1BAPBA1
Ether SCHEMBL6277729 0.77 TDP1 (0.34) MAPTCACNA1BAPBA1TSHRTDP1

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-0191631-B1 COATING SURFACES THE DOW CHEMICAL COMPANY (US) 1992-07-15 EP disclosed
EP-0192403-B1 FORMATION OF SOLID POLYMERIC MATERIAL THE DOW CHEMICAL COMPANY (US) 1989-07-19 EP disclosed
EP-0315466-A2 Formation of flexible laminates THE DOW CHEMICAL COMPANY (US) 1989-05-10 EP disclosed
US-4781781-A LATEX, SAND FILLER, XANTHAN GUM, SETTING ZURCHEM INVESTMENT MANAGEMENT INC., 1209 OWEN STREET, WILMINGTON, DELAWARE, A COMP. OF DE 1988-11-01 US disclosed
US-4722954-A Formation of solid polymeric material comprising a latex and a filler mixture of silica and xanthan gum DOW CHEMICAL COMPANY, THE, 2030 DOW CENTER, ABBOTT ROAD, MIDLAND, MICHIGAN 48640 1988-02-02 US disclosed
US-4692271-A PUMPABLE MIXTURES; LAMELLAR PHASE ALBRIGHT & WILSON LTD. (GB) 1987-09-08 US disclosed
EP-0192403-A1 Formation of solid polymeric material THE DOW CHEMICAL COMPANY (US) 1986-08-27 EP disclosed
US-4231912-A AN ALKYL ALKOXY SULFOSUCCINAMATE AS FOAMING AGENT COWX HENRY 1980-11-04 US disclosed