SCHEMBL536818

SCHEMBL536818

c1ccc2c(c1)CCCCC2=C1CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP2A6 P11509 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
SIGMAR1 Q99720 5/20 0.43
CES1 P23141 1/20 0.43
NOS3 P29474 1/20 0.42
SRD5A1 P18405 1/20 0.39

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
SCHEMBL7621701 0.95 TSHR (0.52) TSHRHPGDL3MBTL1CYP2A6MAOA
SCHEMBL8662164 0.93 CES1 (0.46) TSHRHPGDL3MBTL1CYP2A6MAOA
SCHEMBL110502 0.86 CES1 (0.48) TSHRHPGDL3MBTL1CYP2A6MAOA
SCHEMBL202264 0.80 TSHR (0.44) TSHRHPGDL3MBTL1CYP2A6MAOA
SCHEMBL31430380 0.80 TSHR (0.71) TSHRHPGDL3MBTL1CYP2A6MAOA
SCHEMBL568779 0.80 TSHR (0.71) TSHRHPGDL3MBTL1CYP2A6MAOA
Lithium SCHEMBL7545662 0.78 SIGMAR1 (0.43) TSHRHPGDL3MBTL1CYP2A6MAOA
Potassium SCHEMBL7551769 0.78 SIGMAR1 (0.43) TSHRHPGDL3MBTL1CYP2A6MAOA
Methane SCHEMBL5909544 0.78 SIGMAR1 (0.43) TSHRHPGDL3MBTL1CYP2A6MAOA
SCHEMBL31621255 0.78 TSHR (0.67) TSHRHPGDL3MBTL1CYP2A6MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209267-B1 IMPROVED ANTITRANSPIRANTS HENKEL AG & CO KGAA (DE) 2018-11-28 EP disclosed
EP-3209267-A1 PERFORMANCE-ENHANCED ANTIPERSPIRANTS Henkel AG & Co. KGaA (DE) 2017-08-30 EP disclosed
EP-3027168-B1 WATER-FREE COMPOSITIONS OF A SMOOTH TEXTURE FOR APPLICATION ONTO THE SKIN HENKEL AG & CO KGAA (DE) 2017-07-05 EP disclosed
EP-2931224-B1 ANHYDROUS COMPOSITIONS ACTIVE AGAINST BODY ODOURS HENKEL AG & CO KGAA (DE) 2017-06-28 EP disclosed
EP-2413889-B1 WATER-FREE ANTIPERSPIRANT SPRAYS WITH IMPROVED ACTIVE SUBSTANCE RELEASE HENKEL AG & CO KGAA (DE) 2016-11-09 EP disclosed
EP-3027168-A1 ANHYDROUS COMPOSITION WITH LIGHT TEXTURE FOR APPLICATION TO THE SKIN Henkel AG & Co. KGaA (DE) 2016-06-08 EP disclosed
EP-2480192-B1 NON-AEROSOL WATER-FREE ANTIPERSPIRANT IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO KGAA (DE) 2016-01-13 EP disclosed
EP-2931224-A2 ANHYDROUS COMPOSITIONS ACTIVE AGAINST BODY ODOURS Henkel AG&Co. KGAA (DE) 2015-10-21 EP disclosed
EP-2480193-B1 NON-AEROSOL WATER-FREE ANTIPERSPIRANT IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO KGAA (DE) 2015-08-19 EP disclosed
EP-2883536-A1 Preparation of emulsions containing waxes in a cold process Henkel AG & Co. KGaA (DE) 2015-06-17 EP disclosed
WO-2011036081-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO. KGAA (DE) 2011-03-31 WO disclosed
EP-2257265-A2 WATER-FREE ANTIPERSPIRANT COMPOSITIONS WITH IMPROVED ACTIVE SUBSTANCE RELEASE Henkel AG & Co. KGaA (DE) 2010-12-08 EP disclosed
WO-2010112460-A2 WATER-FREE ANTIPERSPIRANT SPRAYS WITH IMPROVED SUBSTANCE RELEASE HENKEL AG & CO. KGAA (DE) 2010-10-07 WO disclosed
WO-2010112459-A2 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2010-10-07 WO disclosed
EP-2224897-A2 WATER-FREE ANTIPERSPIRANT SPRAYS WITH IMPROVED SUBSTANCE RELEASE Henkel AG & Co. KGaA (DE) 2010-09-08 EP disclosed
WO-2010009976-A2 MORE EFFECTIVE ANHYDROUS DEODORANT COMPOSITIONS APPLIED AS A NON-AEROSOL HENKEL AG & CO. KGAA (DE) 2010-01-28 WO disclosed
WO-2009083807-A2 WATER-FREE ANTIPERSPIRANT COMPOSITIONS WITH IMPROVED ACTIVE SUBSTANCE RELEASE HENKEL AG & CO. KGAA (DE) 2009-07-09 WO disclosed
WO-2009083547-A2 WATER-FREE ANTIPERSPIRANT SPRAYS WITH IMPROVED SUBSTANCE RELEASE HENKEL AG & CO. KGAA (DE) 2009-07-09 WO disclosed
EP-1680070-A1 EMULSIFIERS FOR MULTIPLE EMULSIONS THE LUBRIZOL CORPORATION (US) 2006-07-19 EP disclosed
WO-2004100904-A1 EMULSIFIERS FOR MULTIPLE EMULSIONS THE LUBRIZOL CORPORATION (US) 2004-11-25 WO disclosed