SCHEMBL9320940

SCHEMBL9320940

CCCCCCCCC(Cc1ccc(OCCN)c(OC)c1)S(N)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.49
S1PR2 O95136 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
LPAR2 Q9HBW0 1/20 0.44
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL9321710 0.78 SIGMAR1 (0.53) SIGMAR1S1PR2S1PR1S1PR3LPAR2
SCHEMBL9321708 0.78 SIGMAR1 (0.53) SIGMAR1S1PR2S1PR1S1PR3LPAR2
SCHEMBL9321687 0.77 SIGMAR1 (0.50) SIGMAR1S1PR2S1PR1S1PR3LPAR2
SCHEMBL9320258 0.77 SIGMAR1 (0.50) SIGMAR1S1PR2S1PR1S1PR3LPAR2
SCHEMBL10704410 0.76 SIGMAR1 (0.53) SIGMAR1S1PR2S1PR1S1PR3LPAR2
SCHEMBL9320906 0.76 LMNA (0.52) S1PR2S1PR1S1PR3LPAR2
SCHEMBL9320943 0.75 S1PR2 (0.50) S1PR2S1PR1S1PR3LPAR2
SCHEMBL5688791 0.73 KDM4E (0.66) SIGMAR1S1PR2S1PR1S1PR3LPAR2
SCHEMBL10537941 0.73 S1PR2 (0.54) SIGMAR1S1PR2S1PR1S1PR3LPAR2
SCHEMBL30568773 0.72 LDHA (0.54) SIGMAR1PTGESALOX5PPARGHTR1A

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 4 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
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