SCHEMBL7516212

SCHEMBL7516212

CCCCCC1[CH]CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
CYP19A1 P11511 6/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GRM2 Q14416 1/20 0.33
PPARG P37231 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HLCS P50747 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
SCHEMBL2777191 0.76 NFKB1 (0.41) CYP1A2NFKB1NFKB2RELAALDH1A1
SCHEMBL1614523 0.69 NFKB1 (0.39) CYP1A2NFKB1NFKB2RELASIRT2
SCHEMBL11766874 0.69 NFKB1 (0.41) CYP1A2NFKB1NFKB2RELAALDH1A1
SCHEMBL1036088 0.69 CYP1A2 (0.46) CYP1A2ALDH1A1L3MBTL1HLCS
SCHEMBL5178344 0.68 FAAH (0.43) CYP19A1ALDH1A1PPARGL3MBTL1
SCHEMBL27482176 0.68 CYP1A2 (0.39) CYP1A2NFKB1NFKB2RELAALDH1A1
SCHEMBL1614688 0.68 CYP1A2 (0.39) CYP1A2NFKB1NFKB2RELAALDH1A1
SCHEMBL10704088 0.67 CYP1A2 (0.48) CYP1A2ALDH1A1PPARGL3MBTL1HLCS
SCHEMBL11861937 0.67 CYP1A2 (0.48) CYP1A2ALDH1A1PPARGL3MBTL1HLCS
SCHEMBL14127829 0.67 NFKB1 (0.37) CYP1A2NFKB1NFKB2RELASIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994002114-A9 METHOD FOR PREVENTING UNPLEASANT SMELLS DURING HAIR PERMING, AND COMPOSITION THEREFOR OREAL (FR) 2002-07-04 WO claimed
US-20240016966-A1 FRESHENING COMPOSITIONS COMPRISING CONTROLLED RELEASE MODULATORS Arylessence, Inc. 2024-01-18 US disclosed
US-11806448-B2 Freshening compositions comprising controlled release modulators Arylessence, Inc. (US) 2023-11-07 US disclosed
US-20200038537-A1 FRESHENING COMPOSITIONS COMPRISING CONTROLLED RELEASE MODULATORS Arylessence, Inc. 2020-02-06 US disclosed
WO-2014147886-A1 METHOD FOR AUGMENTING CARBONATE STIMULATION OF CARBONATED BEVERAGE, AND CARBONATED BEVERAGE アサヒグループホールディングス株式会社 (JP) 2014-09-25 WO disclosed
WO-1994002114-A9 METHOD FOR PREVENTING UNPLEASANT SMELLS DURING HAIR PERMING, AND COMPOSITION THEREFOR OREAL (FR) 2002-07-04 WO disclosed