SCHEMBL4186404

SCHEMBL4186404

CC(=O)Oc1c(C)c(C)c(C)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
HTT P42858 3/20 0.57
HSD17B10 Q99714 3/20 0.57
MAPT P10636 2/20 0.57
TP53 P04637 1/20 0.57
GAA P10253 1/20 0.57
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42
BACE1 P56817 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ABCB11 O95342 1/20 0.40
GSK3B P49841 1/20 0.40
ADK P55263 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.39

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
SCHEMBL13666895 0.94 KDM4E (0.62) KDM4EHTTHSD17B10MAPTTP53
SCHEMBL32670901 0.90 KDM4E (0.54) KDM4EHTTHSD17B10MAPTTP53
SCHEMBL9713872 0.86 KDM4E (0.59) KDM4EHTTHSD17B10MAPTTP53
SCHEMBL29368738 0.83 KDM4E (0.63) KDM4EHTTHSD17B10MAPTTP53
SCHEMBL6907648 0.83 KDM4E (0.63) KDM4EHTTHSD17B10MAPTTP53
SCHEMBL9629451 0.81 KDM4E (0.54) KDM4EHTTHSD17B10MAPTTP53
SCHEMBL9627616 0.81 KDM4E (0.54) KDM4EHTTHSD17B10MAPTTP53
SCHEMBL11780453 0.81 KDM4E (0.61) KDM4EHTTHSD17B10MAPTTP53
SCHEMBL24596055 0.79 KDM4E (0.57) KDM4EHTTHSD17B10MAPTTP53
SCHEMBL11784762 0.79 KDM4E (0.51) KDM4EHTTHSD17B10MAPTTP53

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
EP-2029510-A1 PATCHOULI ODORANT Firmenich SA (CH) 2009-03-04 EP claimed
WO-2007135582-A1 PATCHOULI ODORANT FIRMENICH SA (CH) 2007-11-29 WO claimed