SCHEMBL9320260

SCHEMBL9320260

CCCCCCCCCNC(=O)Cc1ccc(OCCN)c(OC)c1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
TRPV1 Q8NER1 1/20 0.55
HSD17B10 Q99714 1/20 0.54
EPHX2 P34913 1/20 0.52
S1PR2 O95136 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
LPAR2 Q9HBW0 1/20 0.50

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
SCHEMBL9140640 1.00 L3MBTL1 (0.61) L3MBTL1TRPV1HSD17B10EPHX2S1PR2
SCHEMBL9323203 1.00 L3MBTL1 (0.61) L3MBTL1TRPV1HSD17B10EPHX2S1PR2
SCHEMBL9320964 1.00 L3MBTL1 (0.61) L3MBTL1TRPV1HSD17B10EPHX2S1PR2
SCHEMBL9320218 1.00 L3MBTL1 (0.61) L3MBTL1TRPV1HSD17B10EPHX2S1PR2
SCHEMBL9321681 1.00 L3MBTL1 (0.61) L3MBTL1TRPV1HSD17B10EPHX2S1PR2
SCHEMBL9320267 1.00 L3MBTL1 (0.61) L3MBTL1TRPV1HSD17B10EPHX2S1PR2
SCHEMBL9323056 1.00 L3MBTL1 (0.61) L3MBTL1TRPV1HSD17B10EPHX2S1PR2
SCHEMBL9321002 0.94 L3MBTL1 (0.55) L3MBTL1TRPV1HSD17B10EPHX2S1PR2
SCHEMBL9320961 0.93 L3MBTL1 (0.54) L3MBTL1TRPV1HSD17B10EPHX2
SCHEMBL28719249 0.88 L3MBTL1 (0.73) L3MBTL1TRPV1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282127-B1 Beta-aminoethyl-substituted phenyl compounds, and anti-inflammatory or analgesic compositions containing them PROCTER & GAMBLE (US) 1994-02-02 EP disclosed
US-5099030-A Phenols or phenolic ethers THE PROCTER & GAMBLE COMPANY (US) 1992-03-24 US disclosed
US-5045565-A Novel compounds, pharmaceutical compositions, and methods for treating inflammation and pain THE PROCTER & GAMBLE COMPANY (US) 1991-09-03 US disclosed