SCHEMBL9010322

SCHEMBL9010322

COc1cc(NC(=O)C2(C)CCc3c(C)c(OC(C)=O)c(C)c(C)c3O2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.54
ALOX5 P09917 2/20 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
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
PSEN1 P49768 4/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.39
HSP90AA1 P07900 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL9257714 0.90 TTPA (0.48) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9010118 0.89 PTGS1 (0.55) TTPAMEN1KMT2APTGS1PTGS2
SCHEMBL9312801 0.84 KMT2A (0.49) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9010317 0.84 TTPA (0.54) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9252607 0.83 TTPA (0.57) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9010324 0.83 TTPA (0.51) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9314876 0.81 TTPA (0.55) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9254482 0.81 TTPA (0.56) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9010132 0.81 TTPA (0.56) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9314951 0.80 TTPA (0.52) TTPAALOX5MEN1KMT2APDE4A

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
EP-0740936-A2 Use of benzopyran derivatives for the manufacture of medicaments for the treatment of diseases connected with the sodium independent Cl-/HCO3- exchanger ADIR ET COMPAGNIE (FR) 1996-11-06 EP disclosed
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