SCHEMBL219767

SCHEMBL219767

CC(CC(=O)Oc1ccccc1S(=O)(=O)[O-])CC(C)(C)C.[Na+]

nearest known ligand 0.37

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 17)

geneUniProtsupporting neighboursconfidence
ABCC8 known ✓ Q09428 1/20 0.31
KCNJ11 known ✓ Q14654 1/20 0.31
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
ACLY P53396 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ELANE P08246 1/20 0.33
RAD51 Q06609 1/20 0.32
PKLR P30613 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABCC9 O60706 1/20 0.31
KCNJ8 Q15842 1/20 0.31

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
SCHEMBL29406060 1.00 MMP1 (0.37) MMP1MMP2MMP3ACLYMEN1
Potassium Ion SCHEMBL5180511 0.97 MMP1 (0.37) MMP1MMP2MMP3ACLYMEN1
SCHEMBL29442454 0.86 CYP1A2 (0.40) MMP1MMP2MMP3ACLYMEN1
SCHEMBL4956522 0.86 CYP1A2 (0.40) MMP1MMP2MMP3ACLYMEN1
SCHEMBL28371379 0.85 CYP1A2 (0.39) MMP1MMP2MMP3ACLYMEN1
SCHEMBL6129360 0.80 ELANE (0.40) MEN1KMT2AELANEALDH1A1HTT
SCHEMBL20942807 0.80 MMP2 (0.45) MMP1MMP2MMP3KMT2AELANE
SCHEMBL3190285 0.80 MMP2 (0.45) MMP1MMP2MMP3KMT2AELANE
SCHEMBL19987840 0.80 MMP1 (0.36) MMP1MMP2MMP3PKLRALDH1A1
SCHEMBL10707582 0.80 P2RY2 (0.32) MMP1MMP2MMP3ACLYRAD51

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 485 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023422-B1 A DETERGENT COMPOSITION PROCTER & GAMBLE (US) 2004-03-03 EP claimed
EP-0973855-B1 BLEACH COMPOSITIONS CONTAINING METAL BLEACH CATALYST, AND BLEACH ACTIVATORS AND/OR ORGANIC PERCARBOXYLIC ACIDS PROCTER & GAMBLE (US) 2003-08-06 EP claimed
EP-0794245-B1 Laundry pretreatment process and bleaching compositions PROCTER & GAMBLE (US) 2003-07-09 EP claimed
EP-0839903-B1 Liquid aqueous bleaching compositions and pretreatment process PROCTER & GAMBLE (US) 2002-12-11 EP claimed
EP-0874896-B1 ENCAPSULATED BLEACH PARTICLES UNILEVER PLC (GB) 2000-08-09 EP claimed
JP-7188107-A None JP disclosed
US-20220259524-A1 PERFUMED CONSUMER PRODUCTS FIRMENICH SA (CH) 2022-08-18 US disclosed
CN-114599772-A Metal complexes and their use 罗地亚经营管理公司 2022-06-07 CN disclosed
EP-3990606-A1 PERFUMED CONSUMER PRODUCTS Firmenich SA (CH) 2022-05-04 EP disclosed
CN-110023556-B Portable stain removal device 皇家飞利浦有限公司 2022-04-29 CN disclosed
EP-1672058-B2 Dishwashing method PROCTER & GAMBLE (US) 2022-03-30 EP disclosed
CN-114096651-A Perfumed consumer product 弗门尼舍有限公司 2022-02-25 CN disclosed
US-4654159-A SEQUESTERING, LAUNDERING, EPOXYSUCCINATE, CALCIUM COMPOUND THE PROCTER & GAMBLE COMPANY (US) 1987-03-31 US disclosed
EP-0193360-A2 Detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1986-09-03 EP disclosed
EP-0192442-A2 Detergency builder system THE PROCTER & GAMBLE COMPANY (US) 1986-08-27 EP disclosed
EP-0192441-A2 Detergency builder system THE PROCTER & GAMBLE COMPANY (US) 1986-08-27 EP disclosed
EP-0190880-A2 Laundry products THE PROCTER & GAMBLE COMPANY (US) 1986-08-13 EP disclosed
EP-0181180-A2 Detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1986-05-14 EP disclosed
EP-0174132-A2 Bleach activator compositions manufacture and use thereof in laundry compositions THE PROCTER & GAMBLE COMPANY (US) 1986-03-12 EP disclosed
EP-0137669-A1 Detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1985-04-17 EP disclosed