SCHEMBL9313487

SCHEMBL9313487

CCOC(=O)COc1c(C)c(C)c2c(c1C)CCC(C)(CC(=O)Nc1cc(C)cc(C)n1)O2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4A P27815 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL9655147 0.91 PSEN1 (0.49) PSEN1CYP1A2CYP3A4MAPK1MEN1
SCHEMBL9313627 0.89 MEN1 (0.39) PSEN1CYP1A2CYP3A4CHRNB2CHRNB4
SCHEMBL9314041 0.88 PSEN1 (0.42) PSEN1CYP1A2CYP3A4CHRNB2CHRNB4
SCHEMBL9313892 0.88 PSEN1 (0.41) PSEN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9314952 0.87 PSEN1 (0.38) PSEN1CYP1A2CYP3A4CHRNB2CHRNB4
SCHEMBL9313669 0.86 PSEN1 (0.43) PSEN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9313766 0.86 PSEN1 (0.45) PSEN1CYP1A2CYP3A4CHRNB2CHRNB4
SCHEMBL9655667 0.85 KMT2A (0.48) PSEN1CYP1A2CYP3A4MAPK1MEN1
SCHEMBL9254582 0.85 PSEN1 (0.44) PSEN1CYP1A2CYP3A4CHRNB2CHRNB4
SCHEMBL9655394 0.83 CYP3A4 (0.44) CYP1A2CYP3A4MAPK1LMNAMEN1

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