SCHEMBL9312901

SCHEMBL9312901

CCOCCCNC(=O)C1(C)CCc2c(C)c(OC(C)=O)c(C)c(C)c2O1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.68
ALOX5 P09917 1/20 0.54
PSEN1 P49768 8/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE4A P27815 1/20 0.47
PDE3A Q14432 1/20 0.47
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
BCHE P06276 5/20 0.41
ACHE P22303 5/20 0.41

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
SCHEMBL2059270 0.88 TTPA (0.67) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9314108 0.87 PTGS1 (0.57) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9312772 0.85 TTPA (0.76) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9312780 0.84 TTPA (0.66) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9656538 0.83 TTPA (0.64) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL8380309 0.79 TTPA (0.69) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9314941 0.77 TTPA (0.61) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9256965 0.76 TTPA (0.63) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL7837337 0.76 TTPA (0.63) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL11705224 0.76 PTGS1 (0.66) TTPAALOX5PSEN1MEN1KMT2A

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
US-5315017-A Peroxidation and eicosanoid biosynthesis inhibition ADIR ET COMPAGNIE (FR) 1994-05-24 US disclosed
EP-0512899-A1 Benzopyran compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-11-11 EP disclosed