SCHEMBL4653099

SCHEMBL4653099

C=COC(=O)C1CC1.[Ca+2].[O-]Cl.[O-]Cl

nearest known ligand 0.36

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 1)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36

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
SCHEMBL295509 0.91 KMT2A (0.41) KMT2A
SCHEMBL5528 0.91
Vinyl Chloride SCHEMBL466395 0.89 KMT2A (0.38) KMT2A
Formaldehyde SCHEMBL9633220 0.89 KMT2A (0.40) KMT2A
Water SCHEMBL9815377 0.89
Charcoal, Activated SCHEMBL8216968 0.89
Hydrochloric Acid SCHEMBL10608471 0.89
Methylene Chloride SCHEMBL3716467 0.87 KMT2A (0.41) KMT2A
1,1-Dichloroethene SCHEMBL5133883 0.87 KMT2A (0.36) KMT2A
SCHEMBL3170410 0.86 KMT2A (0.39) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1255640-B1 CONTROLLED RELEASE ANTI-MICROBIAL WIPE FOR HARD SURFACES KIMBERLY CLARK CO (US) 2008-05-21 EP disclosed
US-6734157-B2 MULTILAYER LAMINATE KIMBERLY-CLARK WORLDWIDE, INC. 2004-05-11 US disclosed
EP-1255640-A1 CONTROLLED RELEASE ANTI-MICROBIAL WIPE FOR HARD SURFACES Kimberly-Clark Worldwide, Inc. (US) 2002-11-13 EP disclosed
US-20020006887-A1 Controlled release anti-microbial hard surface wiper KIMBERLY-CLARK WORLDWIDE, INC. 2002-01-17 US disclosed
WO-2001047705-A1 CONTROLLED RELEASE ANTI-MICROBIAL WIPE FOR HARD SURFACES KIMBERLY-CLARK WORLDWIDE, INC. (US) 2001-07-05 WO disclosed