SCHEMBL11478698

SCHEMBL11478698

CCCc1ccc(CC)c(C)c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.35
POLB P06746 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 4/20 0.33
NOS2 P35228 3/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
IKBKB O14920 1/20 0.33
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
FBP1 P09467 1/20 0.32
TYR P14679 1/20 0.32
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
CA2 P00918 1/20 0.31
ALDH1A2 O94788 1/20 0.30
ALDH2 P05091 1/20 0.30
TSHR P16473 1/20 0.30
ALDH1B1 P30837 1/20 0.30
ALDH1A3 P47895 1/20 0.30

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
SCHEMBL3668915 0.83 IKBKB (0.36) PRKCIPOLBKDM4EALDH1A1NOS2
SCHEMBL3674174 0.82 GABRA1 (0.36) POLBALDH1A1NOS2MAPTHTT
SCHEMBL8107061 0.79 ATP4A (0.39) PRKCIALDH1A1NOS2HTTTYR
SCHEMBL11661917 0.77 POLB (0.52) POLBKDM4EALDH1A1NOS2MAPT
SCHEMBL27952543 0.77 ALDH1A1 (0.40) POLBALDH1A1NOS2MAPTHTT
SCHEMBL8977704 0.77 GABRA1 (0.36) POLBALDH1A1NOS2MAPTHTT
SCHEMBL3966974 0.76 GABRA1 (0.44) POLBHTTELANECTSG
SCHEMBL3797886 0.75 NOS2 (0.38) KDM4EALDH1A1NOS2MAPTHTT
SCHEMBL27692013 0.74 BACE1 (0.40) PRKCIALDH1A1MAPTTYR
SCHEMBL1772161 0.74 IDO1 (0.37) KDM4EALDH1A1MAPT

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
US-4204970-A Lubricant compositions containing alkylated aromatic amino acid antioxidants STANDARD OIL COMPANY (INDIANA) (US) 1980-05-27 US disclosed