SCHEMBL1958100

SCHEMBL1958100

CCCCCC(CC)c1ccccc1/C=C/C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.43
CYSLTR1 Q9Y271 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
NFKB1 P19838 1/20 0.43
CA4 P22748 1/20 0.43
PDE5A O76074 1/20 0.40
PLA2G2D Q9UNK4 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
PTGER3 P43115 4/20 0.39
PTGER2 P43116 4/20 0.39
PTGER4 P35408 3/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
PTGER1 P34995 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IAPP P10997 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL28048305 0.84 CYSLTR2 (0.46) CYSLTR2CYSLTR1CA1CA2NFKB1
SCHEMBL27728476 0.83 MIF (0.46) CYSLTR2CYSLTR1CA1CA2CA4
SCHEMBL9454882 0.82 PDE5A (0.42) CYSLTR2CYSLTR1PDE5APLA2G2DKDM4E
SCHEMBL83533 0.81 SLC37A4 (0.47) CYSLTR2CYSLTR1CA1CA2NFKB1
Coumarinic Acid Methyl Ether SCHEMBL14889493 0.81 GAA (0.50) PLA2G2DKDM4EALDH1A1GAAPTGER3
SCHEMBL10894557 0.80 PDE5A (0.41) PDE5APLA2G2DKDM4EALDH1A1GAA
SCHEMBL126602 0.80 PLA2G2D (0.42) CYSLTR2CYSLTR1NFKB1PDE5APLA2G2D
SCHEMBL27967724 0.80 KDM4E (0.41) CA1CA2NFKB1CA4KDM4E
SCHEMBL303215 0.80 PLA2G2D (0.42) CYSLTR2CYSLTR1NFKB1PDE5APLA2G2D
Arundic Acid SCHEMBL5010028 0.78 CYSLTR2 (0.41) CYSLTR2CYSLTR1CA1CA2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021102874-A1 AN OIL-IN-WATER SUNSCREEN COMPOSITION BEIERSDORF DAILY CHEMICAL (WUHAN) CO., LTD. (CN) 2021-06-03 WO claimed
EP-4501125-A2 MIXTURES CONTAINING (E)-3-BENZO[1, 3 -DIOXOL-5-YL-N,N-DIPHENYL-2-PROPENAMIDE Symrise AG (DE) 2025-02-05 EP disclosed
EP-3663366-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2025-01-08 EP disclosed
EP-3496698-B1 MIXTURES COMPRISING (3)-BENZO(1,3)DIOXOL-5-YL-N,N-DIPHENYLE-2-PROPENAMIDE SYMRISE AG (DE) 2024-11-20 EP disclosed
EP-3675809-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2023-09-27 EP disclosed
WO-2021102874-A1 AN OIL-IN-WATER SUNSCREEN COMPOSITION BEIERSDORF DAILY CHEMICAL (WUHAN) CO., LTD. (CN) 2021-06-03 WO disclosed
EP-2758041-B1 LOW-MOLECULAR MODULATORS OF THE COLD-MENTHOL RECEPTOR TRPM8 AND USE OF SAME BASF SE (DE) 2021-01-13 EP disclosed
EP-2501761-B1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2020-06-17 EP disclosed
EP-3663366-A2 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS Symrise AG (DE) 2020-06-10 EP disclosed
EP-2327391-B1 Sunscreen with improved water resistance and method for producing same BEIERSDORF AG (DE) 2019-02-13 EP disclosed
EP-2394703-B1 Cooling mixture with reinforced cooling effect of 5-methyl-2-(propan-2-yl)cyclohexyl-N-ethyloxamate SYMRISE AG (DE) 2015-12-23 EP disclosed
EP-2717970-A2 POLYETHYLENE GLYCOL-FREE COSMETIC OR DERMATOLOGICAL PREPARATIONS Beiersdorf AG (DE) 2014-04-16 EP disclosed
WO-2012167905-A2 POLYETHYLENE GLYCOL-FREE COSMETIC OR DERMATOLOGICAL PREPARATIONS BEIERSDORF AG (DE) 2012-12-13 WO disclosed
EP-2394703-A1 Cooling mixture with reinforced cooling effect of 5-methyl-2-(propan-2-yl)cyclohexyl-N-ethyloxamate Symrise AG (DE) 2011-12-14 EP disclosed
EP-2327391-A2 Sunscreen with improved water resistance and method for producing same Beiersdorf AG (DE) 2011-06-01 EP disclosed
EP-2181698-A2 Cosmetic formula with siloxane elastomers and particulate material Beiersdorf AG (DE) 2010-05-05 EP disclosed
EP-2179721-A1 Cosmetic formula with new siloxane elastomers Beiersdorf AG (DE) 2010-04-28 EP disclosed