SCHEMBL30108922

SCHEMBL30108922

O=S(=O)([O-])c1cc2ccccc2c(S(=O)(=O)[O-])c1S(=O)(=O)[O-].O=S(=O)([O-])c1cc2ccccc2c(S(=O)(=O)[O-])c1S(=O)(=O)[O-].[Ca+2].[Ca+2].[Ca+2]

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
PTGS1 known ✓ P23219 1/20 0.35
NR1I2 O75469 1/20 0.40
CYP2D6 P10635 1/20 0.38
ENTPD1 P49961 1/20 0.36
ENTPD2 Q9Y5L3 1/20 0.36
CYP3A4 P08684 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
THRB P10828 1/20 0.36
DUSP5 Q16690 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
ATIC P31939 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP1B1 Q16678 1/20 0.34

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
SCHEMBL1247909 0.96 NR1I2 (0.43) NR1I2CYP2D6ENTPD1ENTPD2CYP3A4
SCHEMBL30108861 0.96 NR1I2 (0.40) NR1I2CYP2D6ENTPD1ENTPD2CYP3A4
Potassium Ion SCHEMBL30108900 0.96 NR1I2 (0.40) NR1I2CYP2D6ENTPD1ENTPD2CYP3A4
SCHEMBL30108969 0.96 NR1I2 (0.40) NR1I2CYP2D6ENTPD1ENTPD2CYP3A4
SCHEMBL31214953 0.96 NR1I2 (0.40) NR1I2CYP2D6ENTPD1ENTPD2CYP3A4
SCHEMBL30108867 0.96 NR1I2 (0.40) NR1I2CYP2D6ENTPD1ENTPD2CYP3A4
Lithium Ion SCHEMBL31214922 0.96 NR1I2 (0.40) NR1I2CYP2D6ENTPD1ENTPD2CYP3A4
SCHEMBL29421867 0.96 NR1I2 (0.43) NR1I2CYP2D6ENTPD1ENTPD2CYP3A4
Water SCHEMBL29647653 0.95 NR1I2 (0.42) NR1I2CYP2D6ENTPD1ENTPD2CYP3A4
SCHEMBL31214883 0.86 KDM4E (0.35) NR1I2ENTPD1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119280450-A Medical fabric dressing with long-acting disinfection and sterilization functions and preparation method thereof 孙国明 2025-01-10 CN claimed
CN-118844448-A Preparation method of long-acting antibacterial liquid 孙国明 2024-10-29 CN claimed
CN-118844836-A Long-acting disinfection and sterilization wet (towel) paper 孙国明 2024-10-29 CN claimed
CN-115433376-A Preparation method of long-acting disinfection and sterilization fabric or fiber 孙国明 2022-12-06 CN claimed
CN-119280450-A Medical fabric dressing with long-acting disinfection and sterilization functions and preparation method thereof 孙国明 2025-01-10 CN disclosed
CN-118844448-A Preparation method of long-acting antibacterial liquid 孙国明 2024-10-29 CN disclosed
CN-118844836-A Long-acting disinfection and sterilization wet (towel) paper 孙国明 2024-10-29 CN disclosed