SCHEMBL6901954

SCHEMBL6901954

CC(=O)Oc1ccc(-c2ccccc2C)c(C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
PKM P14618 1/20 0.53
LMNA P02545 3/20 0.51
ACHE P22303 1/20 0.50
ELANE P08246 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 1/20 0.46
BACE1 P56817 1/20 0.46
GAA P10253 3/20 0.45
KDM4E B2RXH2 3/20 0.45
GLA P06280 2/20 0.45
HSP90AA1 P07900 1/20 0.45
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
EPHX1 P07099 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL5582943 0.91 ACHE (0.58) PKMLMNAACHEELANECYP3A4
SCHEMBL14700515 0.84 BACE1 (0.51) LMNAACHECYP3A4ALDH1A1SMN1; SMN2
SCHEMBL27904636 0.84 PKM (0.46) PPARGPPARAPKMLMNAACHE
SCHEMBL19084240 0.82 BACE1 (0.56) LMNAACHEELANECYP3A4MAPT
SCHEMBL1551128 0.81 LMNA (0.55) PPARGPPARAPKMLMNAELANE
SCHEMBL4198689 0.81 LMNA (0.55) PKMLMNAACHEMAPTALDH1A1
SCHEMBL19685841 0.81 CYP3A4 (0.46) PKMLMNAACHEELANECYP3A4
SCHEMBL180340 0.79 PPARG (0.47) PPARGPPARAPKMACHEELANE
SCHEMBL862851 0.77 ACHE (0.65) PKMLMNAACHECYP3A4MAPT
SCHEMBL15085173 0.77 MAPT (0.62) LMNAELANECYP3A4MAPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011034828-A1 SUBSTITUTED PARA-BIPHENYLOXYMETHYL DIHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 WO disclosed