SCHEMBL6378463

SCHEMBL6378463

c1ccc(Oc2cccc(N3CCOCC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
CYP1A2 P05177 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 2/20 0.52
PLK4 O00444 1/20 0.52
PIK3CA P42336 2/20 0.48
AKT1 P31749 1/20 0.48
MTOR P42345 1/20 0.48
HTT P42858 3/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PIK3C3 Q8NEB9 1/20 0.46
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 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
SCHEMBL3266427 0.82 HTR3E (0.54) CYP1A2ALDH1A1CYP3A4HTTHSD17B10
SCHEMBL13706046 0.80 CYP2C19 (0.58) CYP1A2CYP2C19ALDH1A1HTTGAA
SCHEMBL25230198 0.78 CYP11B2 (0.60) ALDH1A1HTTTSHRHSD17B10MAPK1
SCHEMBL6843345 0.78 GAA (0.59) POLBCYP1A2ALDH1A1PIK3CAHTT
SCHEMBL30510878 0.78 HSD17B14 (0.51) CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL23943439 0.78 HSD17B14 (0.51) CYP1A2CYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL16834405 0.78 GAA (0.50) POLBALDH1A1PIK3CAHTTTSHR
SCHEMBL27739303 0.77 PLK4 (0.62) POLBCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL10739039 0.75 POLB (0.46) POLBCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2521152 0.74 LTA4H (0.58) CYP1A2CYP2C9CYP2C19ALDH1A1HTT

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-1217001-B1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT EISAI CO LTD (JP) 2005-12-07 EP disclosed
US-6599917-B1 A squalene-synthesizing enzyme inhibitor, a cholesterol biosynthesis inhibitor and a triglyceride biosynthesis inhibitor EISAI CO., LTD. (JP) 2003-07-29 US disclosed
EP-1217001-A1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed