SCHEMBL8163604

SCHEMBL8163604

CC1(C)CC(CCC(N)=O)CC(C)(C)N1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ARG1 P05089 1/20 0.31
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL9683857 0.80 GAA (0.55) GAATSHRHTTPOLBKMT2A
SCHEMBL2092261 0.80 GAA (0.39) GAATSHRHTTPOLBKMT2A
SCHEMBL918906 0.77 GAA (0.44) GAATSHRHTTPOLBKMT2A
SCHEMBL6701258 0.76 TSHR (0.39) GAATSHRKMT2AKDM4ERECQL
SCHEMBL2547053 0.76 GAA (0.46) GAATSHRHTTPOLBKMT2A
SCHEMBL4654964 0.74 TSHR (0.36) GAATSHR
SCHEMBL28902196 0.74 GAA (0.42) GAATSHRHTTPOLBKMT2A
SCHEMBL15299972 0.73 GAA (0.44) GAATSHRKMT2A
SCHEMBL15300050 0.73 GAA (0.44) GAATSHRKMT2A
SCHEMBL11169821 0.73 GAA (0.44) GAATSHRKMT2A

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-1026206-A1 POLYURETHANE COMPOSITION Sumitomo Chemical Company, Limited (JP) 2000-08-09 EP disclosed