SCHEMBL9259383

SCHEMBL9259383

CCOCCOCCOC(=O)C(C)(C)S(=O)(=O)CC(CC(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
POLB P06746 1/20 0.34
F2 P00734 1/20 0.34
FNTA P49354 4/20 0.33
FNTB P49356 4/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL9265911 0.87 F2 (0.39) KDM4EALDH1A1SMN1; SMN2F2
SCHEMBL9257785 0.78 ALDH1A1 (0.42) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL9261314 0.78 PTGIR (0.42) MAPTGABBR2GABBR1KDM4ERECQL
SCHEMBL9259379 0.77 CYP1A2 (0.42)
SCHEMBL9261597 0.76 GABBR2 (0.51) MAPTGABBR2GABBR1KDM4EALDH1A1
SCHEMBL7655013 0.76 MAPT (0.55) MAPTGABBR2GABBR1KDM4EALDH1A1
SCHEMBL5961389 0.76 KDM4E (0.44) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL9265904 0.75 CTSB (0.37) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9256503 0.73 MAPT (0.41) MAPTGABBR2GABBR1KDM4EALDH1A1
Methyl Alcohol SCHEMBL9254484 0.71 MAPT (0.45) MAPTGABBR2GABBR1KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5393875-A Hypotensive, cardiotonic and antiischemic agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed