SCHEMBL9632130

SCHEMBL9632130

CCCCCCCCC1(COc2ccc([N+](=O)[O-])cc2)CCc2c(C)c(OCOC)c(C)c(C)c2O1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.44
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MGLL Q99685 1/20 0.33
TTPA P49638 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL9631986 0.87 TTPA (0.46) PSEN1MAPTKMT2AMEN1MGLL
SCHEMBL9630985 0.87 MAPT (0.43) PSEN1MAPTKMT2AMEN1TDP1
SCHEMBL10639032 0.83 KMT2A (0.47) PSEN1MAPTKMT2AMEN1TDP1
SCHEMBL9075912 0.79 PSEN1 (0.40) PSEN1MAPTKMT2AMEN1TDP1
SCHEMBL9632234 0.78 PSEN1 (0.49) PSEN1KMT2AMEN1
SCHEMBL10636293 0.76 TTPA (0.49) PSEN1MAPTKMT2AMEN1TDP1
SCHEMBL10641737 0.76 MAPT (0.47) MAPTKMT2AMEN1TDP1TTPA
SCHEMBL9631048 0.75 MAPT (0.48) PSEN1MAPTKMT2AMEN1TDP1
SCHEMBL9631318 0.75 PSEN1 (0.46) PSEN1MAPTKMT2AMEN1TDP1
SCHEMBL10642037 0.72 TTPA (0.47) PSEN1MAPTKMT2AMEN1TTPA

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
US-5104888-A Anticholesterol or antidiabetic agents SANKYO COMPANY, LIMITED (JP) 1992-04-14 US disclosed
EP-0207581-B1 THIAZOLIDINE DERIVATIVES, THEIR PREPARATION AND USE SANKYO COMPANY LIMITED (JP) 1990-09-12 EP disclosed
EP-0207581-A2 Thiazolidine derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-01-07 EP disclosed