SCHEMBL28656336

SCHEMBL28656336

Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.[Ca+2]

nearest known ligand 0.54

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
MMP1 known ✓ P03956 1/20 0.50
MMP8 known ✓ P22894 1/20 0.50
MMP13 known ✓ P45452 1/20 0.50
RAPGEF4 Q8WZA2 6/20 0.54
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
F2 P00734 3/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
GFER P55789 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
Silver SCHEMBL9243729 0.95 RAPGEF4 (0.54) RAPGEF4CA1CA2MMP1MMP2
Lithium Ion SCHEMBL28656990 0.95 RAPGEF4 (0.54) RAPGEF4CA1CA2MMP1MMP2
Potassium Ion SCHEMBL28668574 0.95 RAPGEF4 (0.54) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL9165326 0.95 RAPGEF4 (0.54) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL6274955 0.95 RAPGEF4 (0.54) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL1499866 0.95 RAPGEF4 (0.54) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL11837095 0.89 RAPGEF4 (0.48) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL646619 0.87 RAPGEF4 (0.47) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL4541179 0.79 RAPGEF4 (0.44) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL1694111 0.79 RAPGEF4 (0.41) RAPGEF4CA1CA2MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119074563-A Dental curable composition containing ultraviolet absorber 株式会社松风 2024-12-06 CN disclosed
CN-113402666-B Dental photocurable composition excellent in color tone selectivity 株式会社松风 2024-11-15 CN disclosed
CN-113402665-B Dental photocurable composition comprising a highly soluble photoacid generator 株式会社松风 2024-11-15 CN disclosed
CN-118946340-A Curable composition for dentistry having excellent color tone adaptability 可乐丽则武齿科株式会社 2024-11-12 CN disclosed
CN-118510478-A Curable composition for dental use, and dental patch comprising base material and resin layer 可乐丽则武齿科株式会社 2024-08-16 CN disclosed
CN-114828803-B Dental restorative composition 可乐丽则武齿科株式会社 2024-08-16 CN disclosed
CN-117597099-A Curable composition for dental use 可乐丽则武齿科株式会社 2024-02-23 CN disclosed
CN-113677293-B Curable composition for dental restoration 可乐丽则武齿科株式会社 2023-10-10 CN disclosed
CN-116367806-A Curable composition for dentistry having excellent color tone adaptability 可乐丽则武齿科株式会社 2023-06-30 CN disclosed
CN-113677293-A Curable composition for dental repair 可乐丽则武齿科株式会社 2021-11-19 CN disclosed