SCHEMBL8230429

SCHEMBL8230429

CC(=O)OCOC(=O)c1cccc2ccc3c(c12)Oc1cc(N(C)C)ccc1C31OC(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 2/20 0.46
CYP3A4 P08684 2/20 0.40
FTO Q9C0B1 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
HPGD P15428 2/20 0.40
RECQL P46063 2/20 0.40
BLM P54132 2/20 0.40
PRMT1 Q99873 2/20 0.40
ACE2 Q9BYF1 2/20 0.40
CYP2C19 P33261 1/20 0.40
SMAD3 P84022 1/20 0.40
GSTP1 P09211 1/20 0.37
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL12464183 0.81 MAPT (0.51) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL19657366 0.79 MEN1 (0.46) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL5267339 0.75 GSTP1 (0.47) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL14653307 0.75 MAPT (0.66) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL31580046 0.73 FTO (0.66) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL9610878 0.73 FTO (0.66) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL5271242 0.72 FTO (0.60) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL14477025 0.72 FTO (0.63) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL12380663 0.71 MEN1 (0.49) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL22901156 0.70 MAPT (0.73) MEN1KMT2AMAPTHTTALDH1A1

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-0994669-A1 BLOOD PARAMETER MEASUREMENT DEVICE Terumo Cardiovascular Systems Corporation (US) 2000-04-26 EP disclosed
WO-1998037802-A1 BLOOD PARAMETER MEASUREMENT DEVICE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-09-03 WO disclosed