SCHEMBL9320906

SCHEMBL9320906

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
S1PR2 O95136 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
LPAR2 Q9HBW0 1/20 0.48
POLB P06746 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL9321148 0.94 LMNA (0.47) LMNAMAPK1HTTSMN1; SMN2S1PR2
SCHEMBL9320943 0.83 S1PR2 (0.50) LMNASMN1; SMN2S1PR2S1PR1S1PR3
SCHEMBL9321154 0.83 EPHX2 (0.44) S1PR2S1PR1S1PR3LPAR2
Ammonia Solution, Strong SCHEMBL30256649 0.81 S1PR3 (0.54) S1PR2S1PR1S1PR3LPAR2
SCHEMBL9323056 0.79 L3MBTL1 (0.61) S1PR2S1PR1S1PR3LPAR2
SCHEMBL9321681 0.79 L3MBTL1 (0.61) S1PR2S1PR1S1PR3LPAR2
SCHEMBL9320964 0.79 L3MBTL1 (0.61) S1PR2S1PR1S1PR3LPAR2
SCHEMBL9320267 0.79 L3MBTL1 (0.61) S1PR2S1PR1S1PR3LPAR2
SCHEMBL9320260 0.79 L3MBTL1 (0.61) S1PR2S1PR1S1PR3LPAR2
SCHEMBL9320218 0.79 L3MBTL1 (0.61) S1PR2S1PR1S1PR3LPAR2

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