SCHEMBL6662503

SCHEMBL6662503

CC[C](CCCO)C(C)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CAMK2A Q9UQM7 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2507702 0.74
SCHEMBL4582100 0.69 TDP1 (0.39) ALDH1A1LMNATSHRTDP1
SCHEMBL6437149 0.69
SCHEMBL9012622 0.67 CES2 (0.46) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL10701934 0.67 CES2 (0.46) ALDH1A1LMNATSHRMEN1KMT2A
1,4-Butanediol SCHEMBL2293967 0.65 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
1,4-Butanediol SCHEMBL973912 0.65 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
1,3-Propanediol SCHEMBL10780274 0.65
1,3-Propanediol SCHEMBL8809902 0.65
SCHEMBL10276322 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984101-B1 A sizing composition usable for the neutral sizing of paper or board, and a process for the manufacture of paper or board KEMIRA OYJ (FI) 2004-07-14 EP disclosed
EP-0984101-A1 A sizing composition usable for the neutral sizing of paper or board, and a process for the manufacture of paper or board KEMIRA CHEMICALS OY (FI) 2000-03-08 EP disclosed