SCHEMBL13616543

SCHEMBL13616543

COCC(O)COc1ccc(S(=O)(=O)c2ccc(OCC3CO3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
PKM P14618 2/20 0.68
LMNA P02545 2/20 0.68
GAA P10253 2/20 0.68
MAPT P10636 3/20 0.44
TP53 P04637 3/20 0.44
TSHR P16473 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP1A2 P05177 1/20 0.44
PPARG P37231 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
CA1 P00915 7/20 0.41
CA2 P00918 7/20 0.41
CA9 Q16790 7/20 0.41
CA12 O43570 3/20 0.41
CA4 P22748 4/20 0.40
CA7 P43166 4/20 0.40

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
SCHEMBL10260317 0.94 ALDH1A1 (0.78) ALDH1A1PKMLMNAGAAMAPT
SCHEMBL13514842 0.88 ALDH1A1 (0.68) ALDH1A1PKMLMNAGAAMAPT
SCHEMBL13527948 0.86 TP53 (0.49) ALDH1A1PKMLMNAGAAMAPT
SCHEMBL13616544 0.84 PKM (0.56) ALDH1A1PKMLMNAGAAMAPT
SCHEMBL17296956 0.84 TP53 (0.47) ALDH1A1PKMLMNAGAAMAPT
SCHEMBL313096 0.83 ALDH1A1 (1.00) ALDH1A1PKMLMNAGAAMAPT
SCHEMBL6302232 0.82 PKM (1.00) ALDH1A1PKMLMNAGAAMAPT
SCHEMBL21969177 0.81 ALDH1A1 (0.70) ALDH1A1PKMLMNAGAAMAPT
SCHEMBL11926978 0.81 KMT2A (0.70) ALDH1A1PKMLMNAGAAMAPT
SCHEMBL17225361 0.81 KMT2A (0.70) ALDH1A1PKMLMNAGAAMAPT

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