SCHEMBL8994028

SCHEMBL8994028

O=S(=O)(c1ccc(OCCOCCO)cc1)c1ccc(OCCO)c(CCO)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
USP2 O75604 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
CASP1 P29466 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
APP P05067 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PIK3CG P48736 1/20 0.37
EPAS1 Q99814 1/20 0.36
MMP2 P08253 2/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 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
SCHEMBL466279 0.84 APP (0.51) ALDH1A1LMNAUSP2CYP3A4MAPK1
SCHEMBL8399232 0.83 ALDH1A1 (0.44) ALDH1A1LMNAUSP2CYP3A4MAPK1
SCHEMBL4666581 0.83 APP (0.53) ALDH1A1LMNAUSP2CYP3A4MAPK1
SCHEMBL8395641 0.82 L3MBTL1 (0.46) ALDH1A1LMNAUSP2CYP3A4MAPK1
SCHEMBL8396465 0.82 L3MBTL1 (0.46) ALDH1A1LMNAUSP2CYP3A4MAPK1
SCHEMBL8396499 0.82 L3MBTL1 (0.46) ALDH1A1LMNAUSP2CYP3A4MAPK1
SCHEMBL8399484 0.82 L3MBTL1 (0.46) ALDH1A1LMNAUSP2CYP3A4MAPK1
SCHEMBL8399616 0.81 MAPK1 (0.46) ALDH1A1LMNAUSP2CYP3A4MAPK1
SCHEMBL8398189 0.81 MAPK1 (0.46) ALDH1A1LMNAUSP2CYP3A4MAPK1
SCHEMBL8993983 0.81 ALDH1A1 (0.44) ALDH1A1LMNAUSP2CYP3A4MAPK1

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
EP-0725051-A2 Copolyesters, molded articles from the same and aromatic triols used for producing the same KURARAY CO., LTD. (JP) 1996-08-07 EP disclosed