SCHEMBL8264641

SCHEMBL8264641

CC(=O)Oc1cccc(-c2cccc(C)c2)c1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.79
CYP3A4 P08684 2/20 0.58
MAOB P27338 1/20 0.56
ACHE P22303 1/20 0.53
GAA P10253 1/20 0.51
MAPT P10636 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAPDH P04406 1/20 0.49
ADORA2A P29274 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
BACE1 P56817 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FAAH O00519 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL28032593 0.89 LMNA (0.66) LMNACYP3A4MAOBACHEGAA
SCHEMBL30638434 0.89 LMNA (1.00) LMNACYP3A4MAOBACHEGAA
SCHEMBL280618 0.89 LMNA (1.00) LMNACYP3A4MAOBACHEGAA
SCHEMBL28743154 0.88 LMNA (0.66) LMNACYP3A4MAOBACHEGAA
SCHEMBL13680438 0.88 LMNA (0.67) LMNACYP3A4MAOBGAAMAPT
SCHEMBL27808339 0.87 LMNA (0.96) LMNACYP3A4MAOBACHEGAA
SCHEMBL27808382 0.87 LMNA (0.96) LMNACYP3A4MAOBACHEGAA
Ammonia Solution, Strong SCHEMBL27920738 0.87 LMNA (0.96) LMNACYP3A4MAOBACHEGAA
SCHEMBL4446422 0.85 MAPT (0.67) LMNACYP3A4ACHEGAAMAPT
SCHEMBL4607313 0.84 LMNA (0.71) LMNACYP3A4ACHEGAAMAPT

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
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 WO disclosed