SCHEMBL7500730

SCHEMBL7500730

CCCCCCCCCCCCCCCCN(C)C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.44
GPR84 Q9NQS5 6/20 0.44
FFAR1 O14842 2/20 0.44
DNM1 Q05193 3/20 0.43
PPARD Q03181 5/20 0.42
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
GGPS1 O95749 3/20 0.41
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
TSHR P16473 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 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
SCHEMBL6811800 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1PPARD
SCHEMBL11442609 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1PPARD
SCHEMBL29176010 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1PPARD
SCHEMBL2175916 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1PPARD
SCHEMBL7497648 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1PPARD
SCHEMBL7500724 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1PPARD
SCHEMBL5495146 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1PPARD
SCHEMBL5495147 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1PPARD
SCHEMBL2175914 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1PPARD
Iodide SCHEMBL18221949 0.98 ACE2 (0.43) ACE2GPR84FFAR1DNM1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783560-B1 DISINFECTING DETERGENT FOR USE ON HARD SURFACES HENKEL ECOLAB GMBH & CO OHG (DE) 2002-04-10 EP disclosed
EP-1173230-A1 METHOD FOR TREATING AND MAINTAINING FLOORS WITH DISINFECTANT HENKEL-ECOLAB GmbH & CO. OHG (DE) 2002-01-23 EP disclosed
WO-2000064496-A1 METHOD FOR TREATING AND MAINTAINING FLOORS WITH DISINFECTANT HENKEL ECOLAB GMBH & CO. OHG (DE) 2000-11-02 WO disclosed
EP-1018542-A1 Disinfecting detergents for hard surfaces Henkel KGaA (DE) 2000-07-12 EP disclosed
US-5856290-A MIXTURE OF AN ALKYL OR ALKENYL OLIGOGLYCOSIDE AND CERTAIN C 8-18 ALKYL-SUBSTITUTED ETHERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-01-05 US disclosed
US-5824708-A PROPYLENEDIAMINES AND PEPTIDES AS VIRICIDES HENKEL - ECOLAB GmbH & CO. OHG (DE) 1998-10-20 US disclosed
EP-0730407-B1 ANTI-VIRAL SUBSTANCES HENKEL ECOLAB GMBH & CO OHG (DE) 1998-08-12 EP disclosed
EP-0783560-A1 DISINFECTING DETERGENT FOR USE ON HARD SURFACES Henkel Kommanditgesellschaft auf Aktien (DE) 1997-07-16 EP disclosed
US-5646105-A Cleaning disinfectant HENKEL ECOLAB GMBH & CO. (DE) 1997-07-08 US disclosed
EP-0663945-B1 CLEANSING DISINFECTANT HENKEL ECOLAB GMBH & CO OHG (DE) 1997-02-05 EP disclosed
US-5576284-A REACTION PRODUCTS OF N-ALKYLPROPYLENEDIAMINES AND GLUTAMIC ACID DERIVATIVES, GLYCOSIDES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-11-19 US disclosed
WO-1996010069-A1 DISINFECTING DETERGENT FOR USE ON HARD SURFACES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-04-04 WO disclosed
US-5403505-A An antiseptic concentrate solution comprising a polyamides or polyamideether copolymers, a quaternary ammonium, a phenol, a biguanide and a quaternary phosphonium compounds; stability, water solubility; microbiocides HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-04-04 US disclosed
EP-0519943-B1 CLEANING AND DISINFECTING AGENT HENKEL KGAA (DE) 1995-01-11 EP disclosed
WO-1994009105-A1 CLEANSING DISINFECTANT HENKEL ECOLAB GMBH & CO. OHG (DE) 1994-04-28 WO disclosed