SCHEMBL9631986

SCHEMBL9631986

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTPA P49638 3/20 0.46
PSEN1 P49768 6/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PDE4A P27815 1/20 0.42
PDE3A Q14432 1/20 0.42
ALOX5 P09917 1/20 0.39
MGLL Q99685 2/20 0.39
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL10636293 0.90 TTPA (0.49) TTPAPSEN1KMT2AMEN1PDE4A
SCHEMBL9631318 0.88 PSEN1 (0.46) TTPAPSEN1KMT2AMEN1PDE4A
SCHEMBL9630985 0.88 MAPT (0.43) TTPAPSEN1KMT2AMEN1MGLL
SCHEMBL9632130 0.87 PSEN1 (0.44) TTPAPSEN1KMT2AMEN1MGLL
SCHEMBL10642037 0.85 TTPA (0.47) TTPAPSEN1KMT2AMEN1PDE4A
SCHEMBL7536176 0.83 TTPA (0.51) TTPAPSEN1KMT2AMEN1PDE4A
SCHEMBL9632317 0.82 PSEN1 (0.40) TTPAPSEN1KMT2AMEN1PDE4A
SCHEMBL10373491 0.80 TTPA (0.46) TTPAPSEN1KMT2AMEN1PDE4A
SCHEMBL9633318 0.80 CYP3A4 (0.45) PSEN1KMT2AMEN1PDE4APDE3A
SCHEMBL10641788 0.80 MEN1 (0.53) TTPAPSEN1KMT2AMEN1PDE4A

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