SCHEMBL2581248

SCHEMBL2581248

CCCCC(CC)CC(C(=O)O)C(C)CC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.43
MAPK1 P28482 1/20 0.43
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
SLC1A3 P43003 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 2/20 0.36
ATM Q13315 1/20 0.36
CA1 P00915 3/20 0.35
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 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
SCHEMBL6234057 0.84 CA2 (0.47) CA2MAPK1SLC1A2SLC1A1SLC1A3
Calcium SCHEMBL31454403 0.84 CA2 (0.50) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL20377185 0.80 CA2 (0.47) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL229571 0.79 CA2 (0.46) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL13733268 0.78 ALDH1A1 (0.48) CA2MAPK1SLC1A2SLC1A1ALDH1A1
SCHEMBL21082799 0.78 ALDH1A1 (0.48) CA2MAPK1SLC1A2SLC1A1ALDH1A1
SCHEMBL13734572 0.78 ALDH1A1 (0.48) CA2MAPK1SLC1A2SLC1A1ALDH1A1
SCHEMBL27998610 0.77 FFAR4 (0.47) ALDH1A1TSHRTDP1HDAC11
Glycerin SCHEMBL31515791 0.76 ALDH1A1 (0.50) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL5351411 0.76 TDP1 (0.34) CA2MAPK1SLC1A2SLC1A1SLC1A3

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-2545900-B1 Sun screen compounds with high sun block factor and pleasant feel HENKEL AG & CO KGAA (DE) 2018-08-08 EP claimed
EP-2545901-B1 Emulsion base for sun screen compounds HENKEL AG & CO KGAA (DE) 2017-11-22 EP claimed
EP-2545900-A2 Sun screen compounds with high sun block factor and pleasant feel Henkel AG & Co. KGaA (DE) 2013-01-16 EP claimed
EP-2545901-A2 Emulsion base for sun screen compounds Henkel AG & Co. KGaA (DE) 2013-01-16 EP claimed
WO-2022214187-A1 AN O/W EMULSION BASE AND EMULSIONS COMPRISING THE SAME SYMRISE AG (DE) 2022-10-13 WO disclosed
EP-2545900-B1 Sun screen compounds with high sun block factor and pleasant feel HENKEL AG & CO KGAA (DE) 2018-08-08 EP disclosed
EP-2545901-B1 Emulsion base for sun screen compounds HENKEL AG & CO KGAA (DE) 2017-11-22 EP disclosed
EP-2774600-B1 Lamellar oil-water emulsions with multilayer pigment capsules HENKEL AG & CO KGAA (DE) 2017-04-05 EP disclosed
EP-2593079-B1 MENTHYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE AG (DE) 2016-11-16 EP disclosed
EP-2593077-B1 CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE AG (DE) 2016-11-02 EP disclosed
EP-2545901-A3 Emulsion base for sun screen compounds Henkel AG & Co. KGaA (DE) 2015-12-02 EP disclosed
EP-2545900-A3 Sun screen compounds with high sun block factor and pleasant feel Henkel AG & Co. KGaA (DE) 2015-11-11 EP disclosed
WO-2010122178-A2 CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE GMBH & CO. KG (DE) 2010-10-28 WO disclosed
WO-2010097480-A2 MENTHYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE GMBH & CO. KG (DE) 2010-09-02 WO disclosed
EP-2090301-A1 3-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)-1-propanon und its use in cosmetic and pharmaceutical preparations Symrise GmbH & Co. KG (DE) 2009-08-19 EP disclosed
EP-1954831-A2 AHR MEDIATOR Symrise GmbH & Co. KG (DE) 2008-08-13 EP disclosed
EP-1923041-A1 Use of C10-C14 alkane diols for the preparation of a composition for the prophylaxis and/or treatment of Malassezia-induced dandruff, and compositions comprising C10-C14 alkane diols Symrise GmbH & Co. KG (DE) 2008-05-21 EP disclosed
EP-1915982-A1 Use of 1,2-decanediol for reducing sebum concentration and/or for enhancing penetration of actives into skin areas, and cosmetic and/or dermatological compositions comprising 1,2-decanediol Symrise GmbH & Co. KG (DE) 2008-04-30 EP disclosed
WO-2007110415-A2 USE OF DIACETYL TRIMERS AND COSMETIC OR THERAPEUTIC FORMULATIONS CONTAINING THESE COMPOUNDS SYMRISE GMBH & CO. KG (DE) 2007-10-04 WO disclosed
WO-2007060256-A2 AHR MEDIATOR SYMRISE GMBH & CO. KG (DE) 2007-05-31 WO disclosed