SCHEMBL17520105

SCHEMBL17520105

CC(c1ccccc1)C(C)C(C)(C)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX5 P09917 1/20 0.44
AOC3 Q16853 1/20 0.41
EPHX1 P07099 5/20 0.40
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NOS2 P35228 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL4560918 0.84 MAPT (0.44) MAPTKMT2AALOX5AOC3EPHX1
SCHEMBL8314829 0.81 MAPT (0.48) MAPTKMT2AALOX5AOC3ADRA2A
SCHEMBL6017678 0.79 MAPT (0.50) MAPTKMT2AALOX5AOC3EPHX1
SCHEMBL23582774 0.75 MAPT (0.43) MAPTKMT2AALOX5AOC3LMNA
SCHEMBL17223814 0.73 KMT2A (0.44) MAPTKMT2AALOX5AOC3LMNA
SCHEMBL341787 0.72 ALOX5 (0.50) ALOX5EPHX1ADRA2AADRA2CLMNA
SCHEMBL28260719 0.72 ALOX5 (0.55) ALOX5EPHX1ADRA2AADRA2CLMNA
SCHEMBL7475015 0.72 ALOX5 (0.55) ALOX5EPHX1ADRA2AADRA2CLMNA
SCHEMBL14246913 0.72 KMT2A (0.47) MAPTKMT2AALOX5ADRA2AADRA2C
SCHEMBL16892954 0.71 ALOX5 (0.48) MAPTKMT2AALOX5EPHX1ADRA2A

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
EP-2985273-A1 COMPOUND HAVING CYCLOPROPANE RING, AND FLAVOR COMPOSITION CONTAINING SAME Takasago International Corporation (JP) 2016-02-17 EP disclosed