SCHEMBL4655372

SCHEMBL4655372

COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1.[Na+].[Na+]

nearest known ligand 0.43

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
CA12 known ✓ O43570 5/20 0.43
CA1 known ✓ P00915 5/20 0.43
CA2 known ✓ P00918 5/20 0.43
XDH known ✓ P47989 1/20 0.42
KDM4E B2RXH2 4/20 0.43
CA9 Q16790 5/20 0.43
CA14 Q9ULX7 4/20 0.43
CA7 P43166 1/20 0.43
POLB P06746 3/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 6/20 0.41
FBP1 P09467 1/20 0.40

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
SCHEMBL260648 0.93 CA12 (0.48) KDM4ECA12CA1CA2CA9
Potassium Ion SCHEMBL472611 0.90 CA12 (0.48) KDM4ECA12CA1CA2CA9
Lithium Ion SCHEMBL472702 0.90 CA12 (0.48) KDM4ECA12CA1CA2CA9
SCHEMBL500730 0.90 CA12 (0.48) KDM4ECA12CA1CA2CA9
SCHEMBL4603618 0.90 CA12 (0.48) KDM4ECA12CA1CA2CA9
SCHEMBL500878 0.90 CA12 (0.48) KDM4ECA12CA1CA2CA9
SCHEMBL4604488 0.90 CA12 (0.48) KDM4ECA12CA1CA2CA9
SCHEMBL3683752 0.90 CA12 (0.48) KDM4ECA12CA1CA2CA9
SCHEMBL1331221 0.87 LCK (0.47) KDM4ECA12CA1CA2CA9
SCHEMBL9556912 0.86 CA12 (0.46) KDM4ECA12CA1CA2CA9

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
JP-57143323-A None JP disclosed
EP-1574608-B1 POLYESTER FALSE-TWISTED YARN AND METHOD OF MANUFACTURING THE YARN TEIJIN LTD (JP) 2008-12-03 EP disclosed
US-7000375-B2 Polyester false-twist yarn and method of manufacturing the yarn TEIJIN LIMITED (JP) 2006-02-21 US disclosed
EP-1574608-A1 POLYESTER FALSE-TWISTED YARN AND METHOD OF MANUFACTURING THE YARN TEIJIN LIMITED (JP) 2005-09-14 EP disclosed
US-20050102992-A1 Polyester false-twist yarn and method of manufacturing the yarn TEIJIN FRONTIER CO., LTD. (JP) 2005-05-19 US disclosed
JP-S57143323-A PREPARATION OF POLYESTER TEIJIN LTD 1982-09-04 JP disclosed