SCHEMBL6874469

SCHEMBL6874469

O=S(=O)(c1ccccc1OCCO)c1ccccc1OCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
RECQL P46063 1/20 0.45
IDO1 P14902 1/20 0.44
GAA P10253 4/20 0.43
HTR6 P50406 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.39
JAK2 O60674 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.38
KDM4E B2RXH2 4/20 0.37
PTK2B Q14289 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
PDE5A O76074 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
SCHEMBL31687979 1.00 ALDH1A1 (0.45) ALDH1A1RECQLIDO1GAAHTR6
SCHEMBL34117 1.00 ALDH1A1 (0.45) ALDH1A1RECQLIDO1GAAHTR6
SCHEMBL8702941 0.87 ALDH1A1 (0.44) ALDH1A1RECQLIDO1GAASMN1; SMN2
SCHEMBL4354588 0.85 MMP2 (0.53) ALDH1A1RECQLGAAHTR6SMN1; SMN2
SCHEMBL19277425 0.85 CASR (0.45) ALDH1A1RECQLIDO1GAASMN1; SMN2
SCHEMBL10757156 0.85 IDO1 (0.46) ALDH1A1RECQLIDO1GAALMNA
SCHEMBL9421459 0.84 HTR6 (0.44) GAAHTR6SMN1; SMN2LMNAJAK2
SCHEMBL29636415 0.84 GAA (0.38) ALDH1A1RECQLIDO1GAASMN1; SMN2
SCHEMBL6445168 0.84 GAA (0.38) ALDH1A1RECQLIDO1GAASMN1; SMN2
SCHEMBL778999 0.82 ALDH1A1 (0.45) ALDH1A1RECQLGAAHTR6LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443141-A1 Non-yellowing aldehyde condensation products CLARIANT INTERNATIONAL LTD. (CH) 2004-08-04 EP disclosed
EP-0474075-B1 Aromatic condensation products BAYER AG (DE) 1996-06-05 EP disclosed
EP-0474075-A2 Aromatic condensation products BAYER AG (DE) 1992-03-11 EP disclosed