SCHEMBL9313495

SCHEMBL9313495

CCOC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)Nc1cc(C)cc(C)n1)O2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.44
PSEN1 P49768 6/20 0.43
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
BCHE P06276 6/20 0.37
ACHE P22303 6/20 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
SCHEMBL9254414 0.91 PSEN1 (0.41) TTPAPSEN1ALOX5PTGS1PTGS2
SCHEMBL9427451 0.90 TTPA (0.53) TTPAPSEN1ALOX5PTGS1PTGS2
SCHEMBL9313766 0.88 PSEN1 (0.45) TTPAPSEN1PTGS1PTGS2CYP1A2
SCHEMBL9428287 0.87 PSEN1 (0.54) TTPAPSEN1ALOX5PTGS1PTGS2
SCHEMBL9427643 0.87 TTPA (0.42) TTPAPSEN1ALOX5PTGS1PTGS2
SCHEMBL9655104 0.86 PSEN1 (0.49) TTPAPSEN1ALOX5PTGS1PTGS2
SCHEMBL9313627 0.85 MEN1 (0.39) TTPAPSEN1ALOX5CYP1A2CYP3A4
SCHEMBL9312779 0.85 PSEN1 (0.52) TTPAPSEN1PTGS1PTGS2CYP1A2
SCHEMBL9251381 0.85 PSEN1 (0.45) TTPAPSEN1PTGS1PTGS2CYP1A2
SCHEMBL9427829 0.84 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 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