SCHEMBL9314952

SCHEMBL9314952

COCOc1c(C)c(C)c2c(c1C)CCC(C)(CC(=O)Nc1cc(C)cc(C)n1)O2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
PDE4A P27815 1/20 0.35
PDE3A Q14432 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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 0.89 PSEN1 (0.49) PSEN1CYP1A2CYP3A4MAPK1KMT2A
SCHEMBL9655667 0.87 KMT2A (0.48) PSEN1CYP1A2CYP3A4MAPK1KMT2A
SCHEMBL9313487 0.87 PSEN1 (0.40) PSEN1CYP1A2CYP3A4MAPK1KMT2A
SCHEMBL9314041 0.87 PSEN1 (0.42) PSEN1CYP1A2CYP3A4MAPK1KMT2A
SCHEMBL9313627 0.86 MEN1 (0.39) PSEN1CYP1A2CYP3A4MAPK1KMT2A
SCHEMBL9251381 0.85 PSEN1 (0.45) PSEN1CYP1A2CYP3A4
SCHEMBL9655394 0.85 CYP3A4 (0.44) CYP1A2CYP3A4MAPK1KMT2AMEN1
SCHEMBL9656054 0.84 PSEN1 (0.35) PSEN1CYP3A4KMT2AMEN1PDE4A
SCHEMBL9314864 0.83 PSEN1 (0.37) PSEN1CYP3A4KMT2AMEN1PDE4A
SCHEMBL9250373 0.82 PSEN1 (0.41) PSEN1CYP1A2CYP3A4RAB9AMAPT

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