SCHEMBL9312779

SCHEMBL9312779

Cc1cc(C)nc(NC(=O)C2(C)CCc3c(C)c(OCC(=O)O)c(C)c(C)c3O2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.52
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
TTPA P49638 1/20 0.41
BCHE P06276 4/20 0.38
ACHE P22303 4/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL9255031 0.91 PSEN1 (0.50) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9313766 0.90 PSEN1 (0.45) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9428287 0.89 PSEN1 (0.54) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9251381 0.89 PSEN1 (0.45) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9655104 0.86 PSEN1 (0.49) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9427451 0.86 TTPA (0.53) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9655147 0.85 PSEN1 (0.49) PSEN1CYP1A2CYP3A4MAPK1
SCHEMBL9313495 0.85 TTPA (0.44) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9427829 0.84 PTGS1 (0.56) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9312863 0.84 BCHE (0.50) PSEN1BCHEACHE

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