SCHEMBL9259942

SCHEMBL9259942

CCCCCCCCCCCCCCCCCC(=O)OCC(C)(C)S(=O)(=O)CC(CC(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
PAM P19021 2/20 0.39
ASAH1 Q13510 2/20 0.37
TLR2 O60603 2/20 0.37
SMPD2 O60906 1/20 0.37
SMPD1 P17405 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ACER2 Q5QJU3 1/20 0.37
CERT1 Q9Y5P4 3/20 0.36
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
DGKA P23743 1/20 0.36
UGCG Q16739 1/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9258283 0.84 EPHX2 (0.40) ALDH1A1MEN1KMT2A
Methyl Alcohol SCHEMBL9254484 0.81 MAPT (0.45) MAPTALDH1A1GABBR2GABBR1MEN1
SCHEMBL9263736 0.80 MAPK1 (0.46) MAPTALDH1A1GABBR2GABBR1MAPK1
SCHEMBL9259935 0.79 PTGES (0.40) TLR2MEN1KMT2ACYP1A2
SCHEMBL9257796 0.78 MAPT (0.54) MAPTALDH1A1GABBR2GABBR1MEN1
SCHEMBL7655013 0.73 MAPT (0.55) MAPTALDH1A1GABBR2GABBR1MEN1
SCHEMBL28380917 0.71 MAPT (0.53) MAPTPAMASAH1TLR2ALDH1A1
SCHEMBL28381562 0.71 MAPT (0.53) MAPTPAMASAH1TLR2ALDH1A1
SCHEMBL9328886 0.71 GABBR2 (0.50) MAPTASAH1ALDH1A1ACER2CERT1
SCHEMBL3242852 0.69 GABBR2 (0.54) MAPTGABBR2GABBR1

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