SCHEMBL9010317

SCHEMBL9010317

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)Nc1cc(Cl)c(O)c(Cl)c1)O2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.54
ALOX5 P09917 2/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4A P27815 1/20 0.42
PDE3A Q14432 1/20 0.42
PSEN1 P49768 4/20 0.41
BCHE P06276 7/20 0.40
ACHE P22303 7/20 0.40

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
SCHEMBL9257662 0.90 TTPA (0.48) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL9010194 0.88 PTGS1 (0.60) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9010322 0.84 TTPA (0.54) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL9252607 0.83 TTPA (0.57) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL9314876 0.81 TTPA (0.55) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL9254482 0.81 TTPA (0.56) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL9010132 0.81 TTPA (0.56) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL9314951 0.80 TTPA (0.52) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL9314090 0.79 TTPA (0.51) TTPAALOX5PTGS1PTGS2CYP1A2
SCHEMBL9010314 0.79 TTPA (0.55) TTPAALOX5PTGS1PTGS2CYP1A2

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
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