SCHEMBL9312846

SCHEMBL9312846

CCOC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)Nc1ccccc1)O2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.48
TTPA P49638 2/20 0.48
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
ALOX5 P09917 1/20 0.43
LMNA P02545 1/20 0.42
BCHE P06276 8/20 0.42
ACHE P22303 8/20 0.42

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
SCHEMBL9252607 0.89 TTPA (0.57) PSEN1TTPAPTGS1PTGS2CYP1A2
SCHEMBL9313737 0.87 PSEN1 (0.51) PSEN1TTPAPTGS1PTGS2CYP1A2
SCHEMBL9313986 0.85 PSEN1 (0.56) PSEN1TTPAPTGS1PTGS2CYP1A2
SCHEMBL9314007 0.84 PSEN1 (0.56) PSEN1TTPAPTGS1PTGS2CYP1A2
SCHEMBL9313618 0.84 BCHE (0.49) PSEN1TTPABCHEACHE
SCHEMBL9314887 0.84 PSEN1 (0.51) PSEN1TTPAPTGS1PTGS2CYP1A2
SCHEMBL9656754 0.82 PTGS1 (0.66) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9253766 0.82 PTGS1 (0.66) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9313643 0.82 PTGS1 (0.66) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL30463821 0.82 PTGS1 (0.66) TTPAPTGS1PTGS2CYP1A2CYP3A4

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