SCHEMBL4582788

SCHEMBL4582788

CC(C)C(=O)c1ccc[c]c1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
DBH P09172 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
CFTR P13569 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 2/20 0.31
BCL2 P10415 1/20 0.31
MCL1 Q07820 1/20 0.31
MEN1 O00255 1/20 0.30
PDE5A O76074 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
MIF P14174 1/20 0.30
PDE4A P27815 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
SCHEMBL4651746 0.79 BRD4 (0.37) ALDH1A1KDM4EIRAK4GAACFTR
SCHEMBL3727873 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10TSHRCYP1A2
SCHEMBL7006875 0.74 ALDH1A1 (0.56) ALDH1A1KDM4EGAACFTRHSD17B10
SCHEMBL10773472 0.74 HSP90AB1 (0.38) PDK2ALDH1A1KDM4ECFTRHSD17B10
SCHEMBL9051188 0.73 MAPT (0.33) ALDH1A1CFTRHSD17B10
SCHEMBL10308375 0.73 PDK2 (0.46) PDK2ALDH1A1KDM4EIRAK4DBH
SCHEMBL637576 0.72 ALDH1A1 (0.53) PDK2ALDH1A1KDM4EIRAK4GAA
SCHEMBL5266398 0.72 MMP2 (0.33) ALDH1A1HSD17B10
SCHEMBL8856874 0.70 CES1 (0.39) KDM4E
SCHEMBL5702899 0.70 MAPT (0.58) ALDH1A1GAAHSD17B10MEN1ADORA1

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-20080013173-A1 METHOD OF MANUFACTURING A POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE KONICA MINOLTA OPTO, INC. (JP) 2008-01-17 US disclosed