SCHEMBL9631318

SCHEMBL9631318

CCCCCCCCC1(COc2ccc(N)cc2)CCc2c(C)c(OC(C)=O)c(C)c(C)c2O1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PDE4A P27815 1/20 0.42
PDE3A Q14432 1/20 0.42
TTPA P49638 3/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPN1 P18031 1/20 0.33
GSTO1 P78417 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
CYP19A1 P11511 1/20 0.32

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
SCHEMBL10640049 0.89 MEN1 (0.42) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL9631986 0.88 TTPA (0.46) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL9632317 0.84 PSEN1 (0.40) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL10641768 0.84 MEN1 (0.46) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL9633318 0.83 CYP3A4 (0.45) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL7487350 0.81 MEN1 (0.52) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL10640341 0.78 MEN1 (0.56) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL10636293 0.76 TTPA (0.49) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL9630985 0.75 MAPT (0.43) PSEN1MEN1KMT2ATTPAMAPT
SCHEMBL9632130 0.75 PSEN1 (0.44) PSEN1MEN1KMT2ATTPAMAPT

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