SCHEMBL6708532

SCHEMBL6708532

C[N+](C)(C)CCOC(=O)Oc1ccc(S(=O)(=O)O)cc1.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP14 P50281 2/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CHRM1 P11229 6/20 0.40
CHRM3 P20309 6/20 0.40
CHRM2 P08172 5/20 0.40
CHRM4 P08173 5/20 0.40
MMP8 P22894 1/20 0.40
CHRM5 P08912 4/20 0.40
HTR1A P08908 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA4 P43681 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
PGR P06401 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNB4 P30926 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
SCHEMBL2496049 0.98 MMP2 (0.44) MMP2MMP9MMP14BCHEACHE
SCHEMBL6328139 0.86 MMP2 (0.44) MMP2MMP9MMP14CHRM1CHRM3
SCHEMBL9763647 0.86 MMP2 (0.43) MMP2MMP9MMP14CHRM1CHRM3
SCHEMBL10775761 0.85 MMP2 (0.57) MMP2MMP9MMP14MMP8SMN1; SMN2
SCHEMBL10414955 0.84 MMP2 (0.44) MMP2MMP9MMP14CHRM1CHRM3
SCHEMBL9763964 0.84 CHRM2 (0.39) MMP2MMP9MMP14BCHEACHE
SCHEMBL9319965 0.84 MLNR (0.43) MMP2MMP9MMP14CHRM1CHRM3
SCHEMBL8958816 0.84 MMP2 (0.50) MMP2MMP9MMP14MMP8SMN1; SMN2
SCHEMBL7739008 0.83 MMP2 (0.59) MMP2MMP9MMP14MMP8SMN1; SMN2
SCHEMBL10414159 0.82 CHRM2 (0.40) MMP2MMP9MMP14BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540090-A2 Liquid cleaning compositions UNILEVER N.V. (NL) 1993-05-05 EP claimed
EP-0369511-B1 PROCESS FOR PREPARATION OF QUATERNARY AMMONIUM AND PHOSPHONIUM SUBSTITUTED CARBONIC ACID ESTERS UNILEVER N.V. (NL) 1993-03-24 EP claimed
US-4988817-A Reacting a cationic hydroxyl containing compound with phosgene in an aprotic solvent, followed by reaction with alcohol or a compound with a removeable hydrogen group LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-01-29 US claimed
EP-0284132-A2 Quaternary ammonium or phosphonium peroxy carbonic acid precursors and their use in detergent bleach compositions UNILEVER N.V. (NL) 1988-09-28 EP claimed
US-20040180803-A1 Laundry detergent compositions UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-09-16 US disclosed
EP-1001009-B1 Bleach and oxidation catalyst UNILEVER PLC (GB) 2003-09-03 EP disclosed
US-6302921-B1 NON PEROXY BLEACH UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2001-10-16 US disclosed
US-6165963-A Detergent bleaching composition comprising pentadentate ligand derivatives UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2000-12-26 US disclosed
US-6140294-A OXIDATION CATALYST COMPRISING AN IRON, MANGANESE OR COPPER COMPLEX INCLUDING A SPECIFIED PENTADENTATE NITROGEN-CONTAINING LIGAND UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2000-10-31 US disclosed
EP-0540090-A2 Liquid cleaning compositions UNILEVER N.V. (NL) 1993-05-05 EP disclosed
US-4988451-A DETERGENTS, STABILIZERS, DISPERSANTS, SURFACTANTS LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-01-29 US disclosed
EP-0402971-A2 Particulate detergent composition additive UNILEVER N.V. (NL) 1990-12-19 EP disclosed