SCHEMBL9314007

SCHEMBL9314007

Cc1c(C)c2c(c(C)c1OCC(=O)O)CCC(C)(C(=O)Nc1ccccc1)O2

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.56
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
TTPA P49638 1/20 0.44
BCHE P06276 5/20 0.43
ACHE P22303 5/20 0.43

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
SCHEMBL9313737 0.90 PSEN1 (0.51) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9314887 0.89 PSEN1 (0.51) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9313986 0.86 PSEN1 (0.56) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9252607 0.85 TTPA (0.57) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9312846 0.84 PSEN1 (0.48) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9313643 0.83 PTGS1 (0.66) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9656754 0.83 PTGS1 (0.66) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9253766 0.83 PTGS1 (0.66) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL30463821 0.83 PTGS1 (0.66) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9312863 0.83 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