SCHEMBL345525

SCHEMBL345525

CCC(CO)Cc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.53
SLC6A4 P31645 1/20 0.52
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
IDO1 P14902 1/20 0.44
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43
ADRB2 P07550 2/20 0.43
PPARG P37231 1/20 0.43
CALM1 P0DP23 2/20 0.42

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
SCHEMBL1219106 0.88 SLC6A4 (0.59) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL14402528 0.86 LDHA (0.50) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL9566881 0.84 SLC6A4 (0.55) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL8061007 0.81 SLC6A4 (0.51) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL8907200 0.80 TSHR (0.51) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL27430567 0.80 LDHA (0.60) LDHASLC6A4POLBPPARG
SCHEMBL16235822 0.79 SLC6A4 (0.53) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL27898395 0.79 TDP1 (0.49) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL12512917 0.79 ESR1 (0.55) CYP1A2CYP2D6CYP2C19CYP2C9ADRB2
SCHEMBL345256 0.79 TRPA1 (0.39) SLC6A4CYP1A2IDO1

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 115 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-2010009977-A2 MORE EFFECTIVE ANHYDROUS DEODORANT COMPOSITIONS APPLIED AS A SPRAY HENKEL AG & CO. KGAA (DE) 2010-01-28 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
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-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
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
EP-2167018-A2 COSMETIC STICK BASED ON A CONGEALED OIL-IN-WATER DISPERSION/EMULSION 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-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
WO-2008155391-A2 COSMETIC STICK BASED ON A CONGEALED OIL-IN-WATER DISPERSION/EMULSION HENKEL AG & CO. KGAA (DE) 2008-12-24 WO disclosed