SCHEMBL13616546

SCHEMBL13616546

Cc1ccc(S(=O)(=O)c2ccc(OCCOCC3CO3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.65
PKM P14618 2/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 1/20 0.65
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
PPARG P37231 1/20 0.40
HIF1A Q16665 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6301551 0.93 ALDH1A1 (0.74) GAAPKMALDH1A1LMNAMEN1
SCHEMBL28630372 0.89 ALDH1A1 (0.49) GAAPKMALDH1A1LMNAMEN1
SCHEMBL6296972 0.88 ALDH1A1 (0.85) GAAPKMALDH1A1LMNAMEN1
SCHEMBL11950258 0.87 ALDH1A1 (0.47) GAAPKMALDH1A1LMNAMEN1
SCHEMBL13616544 0.82 PKM (0.56) GAAPKMALDH1A1LMNAMEN1
SCHEMBL10331086 0.82 SMN1; SMN2 (0.56) GAAPKMALDH1A1LMNAMEN1
SCHEMBL4401948 0.81 ALDH1A1 (0.54) GAAPKMALDH1A1LMNAMEN1
SCHEMBL9325190 0.81 TDP1 (0.55) GAAPKMALDH1A1LMNAMEN1
SCHEMBL6301481 0.81 ALDH1A1 (0.72) GAAPKMALDH1A1LMNAMEN1
SCHEMBL14136212 0.80 ALDH1A1 (0.56) GAAPKMALDH1A1LMNAMEN1

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-20090275255-A1 Liquid crystal sealing material and liquid crystal display cells made by using the same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-11-05 US disclosed