SCHEMBL9323157

SCHEMBL9323157

CCCCCCCCCNC(=O)NCc1ccc(OCCN)c(OC)c1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
EPHX2 P34913 1/20 0.57
FAAH O00519 1/20 0.55
S1PR2 O95136 1/20 0.54
S1PR1 P21453 1/20 0.54
S1PR3 Q99500 1/20 0.54
LPAR2 Q9HBW0 1/20 0.54

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
SCHEMBL9321108 1.00 ALDH1A1 (0.57) ALDH1A1EPHX2FAAHS1PR2S1PR1
SCHEMBL9321040 0.94 FAAH (0.65) ALDH1A1EPHX2FAAH
SCHEMBL9320317 0.87
SCHEMBL9320950 0.87
SCHEMBL9321762 0.86 EPHX2 (0.78) ALDH1A1EPHX2
SCHEMBL9321681 0.86 L3MBTL1 (0.61) EPHX2S1PR2S1PR1S1PR3LPAR2
SCHEMBL9320267 0.86 L3MBTL1 (0.61) EPHX2S1PR2S1PR1S1PR3LPAR2
SCHEMBL9320218 0.86 L3MBTL1 (0.61) EPHX2S1PR2S1PR1S1PR3LPAR2
SCHEMBL9323087 0.86 EPHX2 (0.78) ALDH1A1EPHX2
SCHEMBL3688818 0.86 EPHX2 (0.78) ALDH1A1EPHX2

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