SCHEMBL28009291

SCHEMBL28009291

O=C(O)c1ccc2c(S(=O)(=O)[O-])cc(C(=O)O)cc2c1.[Na+]

nearest known ligand 0.45

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 1/20 0.38
CA1 known ✓ P00915 1/20 0.38
CA2 known ✓ P00918 1/20 0.38
CDC25B P30305 1/20 0.45
PTPN1 P18031 1/20 0.44
PKM P14618 1/20 0.40
NEU3 Q9UQ49 1/20 0.39
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL1602216 0.89 CDC25B (0.44) CDC25BPTPN1PKMNEU3CA12
SCHEMBL17393220 0.83 HIPK2 (0.44)
SCHEMBL29365363 0.83 PTPN1 (0.50) CDC25BPTPN1PKMCA12CA1
SCHEMBL79524 0.83 PTPN1 (0.50) CDC25BPTPN1PKMCA12CA1
SCHEMBL1602825 0.82 LCK (0.42) CDC25BPKMCA12CA1CA2
SCHEMBL1724615 0.81 NPSR1 (0.42) CDC25BPTPN1PKMKDM4ETP53
SCHEMBL30014607 0.81 NPSR1 (0.42) CDC25BPTPN1PKMKDM4ETP53
SCHEMBL7941985 0.81 PTPN1 (0.49) CDC25BPTPN1PKMCA12CA1
SCHEMBL15387616 0.81 PTPN1 (0.49) CDC25BPTPN1PKMCA12CA1
SCHEMBL7944056 0.81 PTPN1 (0.49) CDC25BPTPN1PKMCA12CA1

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
CN-117157343-A Crystalline polyester resin, aqueous polyester resin dispersion, and adhesive or coating composition using same 东洋纺MC株式会社 2023-12-01 CN disclosed
CN-115093595-B laminated polyester film 东洋纺株式会社 2023-11-17 CN disclosed
CN-111051404-B Easy-to-adhere polyester film 东洋纺株式会社 2023-09-22 CN disclosed
CN-115093595-A Laminated polyester film 东洋纺株式会社 2022-09-23 CN disclosed
CN-111051404-A Easily adhesive polyester film 东洋纺株式会社 2020-04-21 CN disclosed
CN-104520738-A Polyester film for protecting polarizer, polarizing plate, and liquid crystal display device TOYO BOSEKI 2015-04-15 CN disclosed