SCHEMBL464905

SCHEMBL464905

Cc1cc(C(=O)O)c(S(=O)(=O)[O-])c(C(=O)O)c1C.[Na+]

nearest known ligand 0.39

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
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
LMNA P02545 3/20 0.37
MAPK1 P28482 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.35
GAA P10253 1/20 0.35
METAP2 P50579 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34
CYP3A4 P08684 2/20 0.33
ACHE P22303 1/20 0.33
MAPT P10636 1/20 0.33
NOTUM Q6P988 1/20 0.32

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
SCHEMBL985182 0.83 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL3912717 0.81 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL11373331 0.81 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9246637 0.81 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL758181 0.81 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL11436441 0.80 LMNA (0.34) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7788383 0.75 TPMT (0.39) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6904405 0.74 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL14989265 0.74 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9615114 0.73 POLB (0.39) LMNAMETAP2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11072683-B2 Furandicarboxylic acid-containing polyesters BASF SE 2021-07-27 US disclosed
US-20200095372-A1 FURANDICARBOXYLIC ACID-CONTAINING POLYESTERS BASF SE (DE) 2020-03-26 US disclosed
EP-3622000-A1 A POLYESTER BASF SE (DE) 2020-03-18 EP disclosed
US-8663744-B2 Method for improving aramid yarn bundle cohesiveness TEIJIN ARAMID B.V. (NL) 2014-03-04 US disclosed
EP-1819870-B1 METHOD FOR IMPROVING ARAMID YARN BUNDLES COHESIVENESS TEIJIN ARAMID BV (NL) 2012-01-11 EP disclosed
EP-1910050-B1 METHOD FOR IMPROVING FILAMENT COHESIVENESS OF CHOPPED ARAMID FIBER TEIJIN ARAMID BV (NL) 2008-11-19 EP disclosed
US-20080251965-A1 Method for Improving Filament Cohesiveness of Chopped Aramid Fiber TEIJIN ARAMID B.V. (NL) 2008-10-16 US disclosed
US-20080090041-A1 Method For Improving Aramid Yarn Bundle Cohesiveness TEIJIN TWARON B.V. (NL) 2008-04-17 US disclosed
EP-1910050-A1 METHOD FOR IMPROVING FILAMENT COHESIVENESS OF CHOPPED ARAMID FIBER Teijin Aramid B.V. (NL) 2008-04-16 EP disclosed
EP-1819870-A1 METHOD FOR IMPROVING ARAMID YARN BUNDLES COHESIVENESS Teijin Twaron B.V. (NL) 2007-08-22 EP disclosed
US-7199183-B2 Primer composition and bonded structure 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-04-03 US disclosed
WO-2007006438-A1 METHOD FOR IMPROVING FILAMENT COHESIVENESS OF CHOPPED ARAMID FIBER TEIJIN ARAMID B.V. (NL) 2007-01-18 WO disclosed
WO-2006058676-A1 METHOD FOR IMPROVING ARAMID YARN BUNDLE COHESIVENESS TEIJIN TWARON B.V. (NL) 2006-06-08 WO disclosed
US-20050245674-A1 Primer composition and bonded structure 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-11-03 US disclosed
WO-2004003049-A1 PRIMER COMPOSITION AND BONDED STRUCTURE 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-01-08 WO disclosed