SCHEMBL9010118

SCHEMBL9010118

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
BCHE P06276 9/20 0.46
ACHE P22303 9/20 0.46
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PSEN1 P49768 3/20 0.41
TTPA P49638 1/20 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
SCHEMBL9010322 0.89 TTPA (0.54) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8545725 0.88 PTGS1 (0.48) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9312775 0.85 ALOX5 (0.44) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9010194 0.82 PTGS1 (0.60) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9010313 0.81 PTGS1 (0.56) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9253766 0.80 PTGS1 (0.66) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9656754 0.80 PTGS1 (0.66) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL30463821 0.80 PTGS1 (0.66) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9313643 0.80 PTGS1 (0.66) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL15820661 0.80 PTGS1 (0.56) PTGS1PTGS2CYP1A2CYP3A4TSHR

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 4 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 claimed
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