SCHEMBL9010034

SCHEMBL9010034

Cc1ccc(S(=O)(=O)O)cc1CCOCCOCCOCCc1cc(S(=O)(=O)O)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.38
S1PR3 Q99500 1/20 0.37
SNCA P37840 1/20 0.36
PTGS1 P23219 3/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 3/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8664631 0.94 AOC2 (0.36) PTGS2S1PR3SNCAPTGS1ALDH1A1
SCHEMBL29006523 0.94 PTGS2 (0.45) PTGS2S1PR3SNCAPTGS1
SCHEMBL5861877 0.94 AOC2 (0.36) PTGS2S1PR3SNCAPTGS1ALDH1A1
SCHEMBL900004 0.92 GAA (0.38) PTGS2S1PR3SNCAPTGS1ALDH1A1
SCHEMBL1607370 0.91 S1PR3 (0.43) PTGS2S1PR3PTGS1ALDH1A1LMNA
SCHEMBL872698 0.89 ALDH1A1 (0.38) S1PR3SNCAALDH1A1HSD17B10LMNA
SCHEMBL10596213 0.88 ALDH1A1 (0.41) SNCAALDH1A1HSD17B10LMNAGAA
SCHEMBL1109910 0.86 ALDH1A1 (0.40) PTGS2PTGS1ALDH1A1LMNAGAA
SCHEMBL8958833 0.84 ALDH1A1 (0.36) S1PR3SNCAALDH1A1HSD17B10LMNA
SCHEMBL15440450 0.84 TK2 (0.43) PTGS2PTGS1

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-0598084-B1 COMPOUNDS CAPABLE OF FORMING INCLUSION COMPLEXES KODAK LTD (GB) 1996-11-13 EP disclosed
US-5438133-A Cyclodextrin catenane compounds capable of forming inclusion complexes EASTMAN KODAK COMPANY (US) 1995-08-01 US disclosed
EP-0598084-A1 COMPOUNDS CAPABLE OF FORMING INCLUSION COMPLEXES. KODAK LTD (GB) 1994-05-25 EP disclosed
WO-1993024532-A1 COMPOUNDS CAPABLE OF FORMING INCLUSION COMPLEXES KODAK LIMITED (GB) 1993-12-09 WO disclosed