SCHEMBL6700457

SCHEMBL6700457

CCCCCCCCCCCCCCCC/C=C/NC(=O)Cc1ccc(OCCN)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.51
HSD17B10 Q99714 1/20 0.48
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
MAPT P10636 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LTA4H P09960 1/20 0.47
TRPV1 Q8NER1 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL9321739 1.00 EPHX2 (0.51) EPHX2HSD17B10CYP3A4CYP2D6MAPT
SCHEMBL9321173 1.00 EPHX2 (0.51) EPHX2HSD17B10CYP3A4CYP2D6MAPT
SCHEMBL9320977 1.00 EPHX2 (0.51) EPHX2HSD17B10CYP3A4CYP2D6MAPT
SCHEMBL6700462 1.00 EPHX2 (0.51) EPHX2HSD17B10CYP3A4CYP2D6MAPT
SCHEMBL9321727 1.00 EPHX2 (0.51) EPHX2HSD17B10CYP3A4CYP2D6MAPT
SCHEMBL9321187 1.00 EPHX2 (0.51) EPHX2HSD17B10CYP3A4CYP2D6MAPT
SCHEMBL9320991 1.00 EPHX2 (0.51) EPHX2HSD17B10CYP3A4CYP2D6MAPT
SCHEMBL9323035 0.89 GPR119 (0.44) HSD17B10CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL9323024 0.89 GPR119 (0.44) HSD17B10CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL9321888 0.88 EPHX2 (0.44) EPHX2LTA4HTRPV1

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 13 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 claimed
US-5099030-A Phenols or phenolic ethers THE PROCTER & GAMBLE COMPANY (US) 1992-03-24 US claimed
US-5045565-A Novel compounds, pharmaceutical compositions, and methods for treating inflammation and pain THE PROCTER & GAMBLE COMPANY (US) 1991-09-03 US claimed
EP-0282127-A2 Beta-aminoethyl-substituted phenyl compounds, and anti-inflammatory or analgesic compositions containing them THE PROCTER & GAMBLE COMPANY (US) 1988-09-14 EP claimed
US-20040224037-A1 Devastating treatment against hiv/aids with capsaicin ROMERO-MATOS GONZALO 2004-11-11 US disclosed
US-5461075-A Use of vanilloids for the prevention of lesions due to herpes simplex infections THE PROCTER & GAMBLE COMPANY (US) 1995-10-24 US disclosed
EP-0347000-B1 The use of vanilloids for the manufacture of a medicament for treating herpes simplex infections PROCTER & GAMBLE (US) 1994-10-26 EP disclosed
EP-0282127-B1 Beta-aminoethyl-substituted phenyl compounds, and anti-inflammatory or analgesic compositions containing them PROCTER & GAMBLE (US) 1994-02-02 EP disclosed
EP-0559744-A1 COMBINATIONS OF VANILLOID COMPOUNDS AND NUCLEOSIDE ANTIVIRAL COMPOUNDS FOR TREATMENT OF HERPES INFECTIONS THE PROCTER & GAMBLE COMPANY (US) 1993-09-15 EP disclosed
WO-1992009287-A1 COMBINATIONS OF VANILLOID COMPOUNDS AND NUCLEOSIDE ANTIVIRAL COMPOUNDS FOR TREATMENT OF HERPES INFECTIONS THE PROCTER & GAMBLE COMPANY (US) 1992-06-11 WO 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
EP-0282127-A2 Beta-aminoethyl-substituted phenyl compounds, and anti-inflammatory or analgesic compositions containing them THE PROCTER & GAMBLE COMPANY (US) 1988-09-14 EP disclosed