SCHEMBL27979641

SCHEMBL27979641

C[C@@H]1CN1Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.68
SIGMAR1 Q99720 3/20 0.58
PDK1 Q15118 1/20 0.55
PDK2 Q15119 1/20 0.55
PDK3 Q15120 1/20 0.55
PDK4 Q16654 1/20 0.55
HRH2 P25021 1/20 0.53
ACHE P22303 1/20 0.52

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
SCHEMBL4048121 1.00 MAPT (0.68) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL6741206 1.00 MAPT (0.68) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL6742277 0.98 MAPT (0.66) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL6742274 0.98 MAPT (0.66) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL1189176 0.89 SIGMAR1 (0.57) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL1190075 0.89 SIGMAR1 (0.57) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL17069524 0.88 MAPT (0.70) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL17426061 0.88 MAPT (0.70) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL17069523 0.88 MAPT (0.70) MAPTSIGMAR1PDK1PDK2PDK3
SCHEMBL17426063 0.88 MAPT (0.70) MAPTSIGMAR1PDK1PDK2PDK3

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
CN-104428331-A Active energy ray-polymerizable resin composition and laminate obtained using resin composition TOYO INK SC HOLDINGS CO LTD 2015-03-18 CN disclosed