SCHEMBL9720732

SCHEMBL9720732

CC1(C)CC(NC(=O)CCCC(=O)NN)CC(C)(C)N1CCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
EPHX2 P34913 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
EZH2 Q15910 1/20 0.33
MAPK8 P45983 1/20 0.32
CTSD P07339 1/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
MAOB P27338 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
GNAI3 P08754 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
SCHEMBL9002615 0.91 SMN1; SMN2 (0.38) GAAMAPTPOLBHTTEPHX2
SCHEMBL9419564 0.87 GNAI3 (0.41) MAPTPOLBHTTEPHX2SMN1; SMN2
SCHEMBL11340581 0.82 SMN1; SMN2 (0.42) GAAMAPTEPHX2SMN1; SMN2EZH2
SCHEMBL9300620 0.79 HTT (0.41) GAAMAPTPOLBHTTEPHX2
SCHEMBL9003139 0.78 EZH2 (0.35) GAAMAPTPOLBHTTEPHX2
SCHEMBL9419580 0.77 EPHX1 (0.49) GAAEPHX2
SCHEMBL5697678 0.76 MAPT (0.45) GAAMAPTPOLBEPHX2SMN1; SMN2
SCHEMBL9002605 0.76 SMN1; SMN2 (0.39) GAAMAPTPOLBHTTEPHX2
SCHEMBL9002854 0.75 GAA (0.58) GAAMAPTPOLBHTT
SCHEMBL9747103 0.74 GNAI3 (0.47) MAPTEPHX2GNAI3GNAO1GNAI1

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-5132387-A Polyme bound ELF ATOCHEM NORTH AMERICA, INC. (US) 1992-07-21 US disclosed