SCHEMBL13616544

SCHEMBL13616544

COCCOCC(O)COCCOc1ccc(S(=O)(=O)c2ccc(OCCOCC3CO3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.56
ALDH1A1 P00352 3/20 0.55
LMNA P02545 3/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 4/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MMP1 P03956 3/20 0.37
MMP2 P08253 3/20 0.37
MMP3 P08254 3/20 0.37
MMP13 P45452 2/20 0.37
AOC2 O75106 1/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 3/20 0.36
MMP7 P09237 2/20 0.36
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HPGD P15428 2/20 0.35

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 0.86 ALDH1A1 (0.74) PKMALDH1A1LMNAGAAKMT2A
SCHEMBL13616543 0.84 ALDH1A1 (0.68) PKMALDH1A1LMNAGAAKMT2A
SCHEMBL13616546 0.82 GAA (0.65) PKMALDH1A1LMNAGAAKMT2A
SCHEMBL10260317 0.80 ALDH1A1 (0.78) PKMALDH1A1LMNAGAAKMT2A
SCHEMBL4401948 0.77 ALDH1A1 (0.54) PKMALDH1A1LMNAGAAKMT2A
SCHEMBL13514842 0.77 ALDH1A1 (0.68) PKMALDH1A1LMNAGAAKMT2A
SCHEMBL21892837 0.74 SMN1; SMN2 (0.45) PKMALDH1A1LMNAGAAKMT2A
SCHEMBL9325190 0.74 TDP1 (0.55) PKMALDH1A1LMNAGAAKMT2A
SCHEMBL14136212 0.74 ALDH1A1 (0.56) PKMALDH1A1LMNAGAAKMT2A
SCHEMBL313096 0.73 ALDH1A1 (1.00) PKMALDH1A1LMNAGAAKMT2A

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