SCHEMBL345251

SCHEMBL345251

CCC(CO)Cc1ccc(C)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 4/20 0.38
PSMB8 P28062 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TRPA1 O75762 1/20 0.36
ACSS2 Q9NR19 1/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
CTSB P07858 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
MMP1 P03956 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL6377004 0.90 PSMB5 (0.40) PSMB5PSMB8TRPA1ACSS2ESR1
SCHEMBL345256 0.79 TRPA1 (0.39) TRPA1ESR1ESR2NR3C1PGR
SCHEMBL25395322 0.77 PSMB5 (0.39) PSMB5PSMB8TRPA1ESR1ESR2
SCHEMBL29781184 0.77 PSMB5 (0.39) PSMB5PSMB8TRPA1ESR1ESR2
SCHEMBL11570604 0.77 CYP1A2 (0.44) TRPA1ESR1ESR2CYP3A4
SCHEMBL345360 0.76 NR3C1 (0.43) TRPA1NR3C1PGRNR3C2CTSB
SCHEMBL344081 0.76 PNMT (0.53) SMN1; SMN2
SCHEMBL6376340 0.76 ABCB1 (0.40)
SCHEMBL5312432 0.76 CNR1 (0.37) PSMB5PSMB8SMN1; SMN2ESR1ESR2
SCHEMBL12512917 0.75 ESR1 (0.55) ESR1ESR2PGRLMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210069071-A1 COSMETIC SOAP GEL STICKS WITH IMPROVED MANUFACTURABILITY HENKEL AG & CO. KGAA (DE) 2021-03-11 US claimed
EP-2453867-A2 COSMETIC AND DERMATOLOGICAL TOPICAL COMPOSITIONS HAVING A HAIR GROWTH-MINIMISING OR HAIR GROWTH-INHIBITING EFFECT Henkel AG & Co. KGaA (DE) 2012-05-23 EP claimed
EP-2349185-A2 MORE EFFECTIVE ANHYDROUS DEODORANT COMPOSITIONS APPLIED AS A SPRAY Henkel AG & Co. KGaA (DE) 2011-08-03 EP claimed
EP-2349184-A2 MORE EFFECTIVE ANHYDROUS DEODORANT COMPOSITIONS APPLIED AS A NON-AEROSOL Henkel AG & Co. KGaA (DE) 2011-08-03 EP claimed
WO-2011006689-A2 COSMETIC AND DERMATOLOGICAL TOPICAL COMPOSITIONS HAVING A HAIR GROWTH-MINIMISING OR HAIR GROWTH-INHIBITING EFFECT HENKEL AG & CO. KGAA (DE) 2011-01-20 WO claimed
WO-2010009976-A2 MORE EFFECTIVE ANHYDROUS DEODORANT COMPOSITIONS APPLIED AS A NON-AEROSOL HENKEL AG & CO. KGAA (DE) 2010-01-28 WO claimed
WO-2010009977-A2 MORE EFFECTIVE ANHYDROUS DEODORANT COMPOSITIONS APPLIED AS A SPRAY HENKEL AG & CO. KGAA (DE) 2010-01-28 WO claimed
US-11504309-B2 Deo emulsion for aerosols, deodorant comprising the same and use of the deodorant HENKEL AG & CO. KGAA (DE) 2022-11-22 US disclosed
US-11324675-B2 Deo emulsion for aerosols with reduced stain problem, deodorant comprising the same and use of the deodorant HENKEL AG & CO. KGAA (DE) 2022-05-10 US disclosed
US-11090237-B2 Deodorant cosmetic compositions comprising calcium silicate and sodium bicarbonate HENKEL AG & CO. KGAA (DE) 2021-08-17 US disclosed
US-11045399-B2 Residue-minimized antiperspirant composition with improved skin feel HENKEL AG & CO. KGAA (DE) 2021-06-29 US disclosed
US-20210093522-A1 DEO EMULSION FOR AEROSOLS WITH REDUCED STAIN PROBLEM, DEODORANT COMPRISING THE SAME AND USE OF THE DEODORANT HENKEL AG & CO. KGAA (DE) 2021-04-01 US disclosed
US-20210093520-A1 DEO EMULSION FOR AEROSOLS, DEODORANT COMPRISING THE SAME AND USE OF THE DEODORANT HENKEL AG & CO. KGAA (DE) 2021-04-01 US disclosed
EP-2167017-A2 COSMETIC STICK BASED ON A CONGEALED OIL-IN-WATER DISPERSION/EMULSION HAVING A HYDROGEL FORMER Henkel AG & Co. KGaA (DE) 2010-03-31 EP disclosed
WO-2010031657-A2 USE OF UREA DERIVATIVES AND PHENACYLTHIAZOLIUM SALTS FOR THE TREATMENT OF BODY ODOUR HENKEL AG & CO. KGAA (DE) 2010-03-25 WO disclosed
WO-2010009977-A2 MORE EFFECTIVE ANHYDROUS DEODORANT COMPOSITIONS APPLIED AS A SPRAY HENKEL AG & CO. KGAA (DE) 2010-01-28 WO 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-2009083547-A2 WATER-FREE ANTIPERSPIRANT SPRAYS WITH IMPROVED SUBSTANCE RELEASE HENKEL AG & CO. KGAA (DE) 2009-07-09 WO disclosed
WO-2008155391-A2 COSMETIC STICK BASED ON A CONGEALED OIL-IN-WATER DISPERSION/EMULSION HENKEL AG & CO. KGAA (DE) 2008-12-24 WO disclosed
WO-2008155382-A2 COSMETIC STICK BASED ON A CONGEALED OIL-IN-WATER DISPERSION/EMULSION HAVING A HYDROGEL FORMER HENKEL AG & CO. KGAA (DE) 2008-12-24 WO disclosed