SCHEMBL9314049

SCHEMBL9314049

Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)Nc1cc(C)c3ccccc3n1)O2

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 18/20 0.62
ACHE P22303 18/20 0.62
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL9254923 0.89 BCHE (0.54) BCHEACHEPTGS1PTGS2CYP1A2
SCHEMBL9655145 0.88 BCHE (0.49) BCHEACHE
SCHEMBL9312863 0.86 BCHE (0.50) BCHEACHE
SCHEMBL9312790 0.86 BCHE (0.59) BCHEACHEPTGS1PTGS2CYP1A2
SCHEMBL9314083 0.86 BCHE (0.49) BCHEACHE
SCHEMBL9313618 0.86 BCHE (0.49) BCHEACHE
SCHEMBL9313502 0.85 BCHE (0.52) BCHEACHEPTGS1PTGS2CYP1A2
SCHEMBL9655253 0.84 BCHE (0.48) BCHEACHE
SCHEMBL9314055 0.84 PSEN1 (0.48) BCHEACHE
SCHEMBL9313643 0.81 PTGS1 (0.66) BCHEACHEPTGS1PTGS2CYP1A2

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 3 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 claimed
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