SCHEMBL30134652

SCHEMBL30134652

Cc1c(C(=O)[O-])cc(C(=O)[O-])c(C)c1S(=O)(=O)[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.35

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 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PKLR P30613 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
SCHEMBL11436441 0.77 LMNA (0.34) TDP1LMNAKDM4EALDH1A1HPGD
SCHEMBL672196 0.74 NFKB1 (0.33) TDP1LMNA
SCHEMBL1930483 0.74 NFKB1 (0.35) TDP1LMNA
SCHEMBL2808087 0.72 KDM4E (0.44) TDP1KDM4EPOLBALDH1A1HPGD
SCHEMBL1410085 0.71 KDM4E (0.48) TDP1KDM4EPOLBALDH1A1HPGD
Potassium Ion SCHEMBL2231008 0.71 NFKB1 (0.31)
Potassium Ion SCHEMBL8338015 0.70 CA1 (0.38) TDP1KDM4EPOLBALDH1A1HPGD
Pyromellitic Acid SCHEMBL6263960 0.69 KDM4E (0.48) TDP1KDM4EPOLBALDH1A1HPGD
SCHEMBL3341069 0.69 CA1 (0.32) LMNAALDH1A1
SCHEMBL2808083 0.68 KDM4E (0.50) TDP1KDM4EPOLBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306564-A1 BIOBASED AQUEOUS POLYURETHANE DISPERSIONS Evoco Limited (CA) 2024-01-17 EP claimed
US-11530332-B1 Biobased aqueous polyurethane dispersions Evoco Limited (CA) 2022-12-20 US claimed
CN-118440383-A Laminated polyester film 东洋纺株式会社 2024-08-06 CN disclosed
CN-117844202-A Polymer blends with controlled biodegradation rates CJ第一制糖株式会社 2024-04-09 CN disclosed
EP-4306564-A1 BIOBASED AQUEOUS POLYURETHANE DISPERSIONS Evoco Limited (CA) 2024-01-17 EP disclosed
US-11530332-B1 Biobased aqueous polyurethane dispersions Evoco Limited (CA) 2022-12-20 US disclosed