SCHEMBL14733919

SCHEMBL14733919

CN(C)c1cc2ccccc2cc1CCCCCCO

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.42
SIGMAR1 Q99720 2/20 0.36
TLR8 Q9NR97 2/20 0.36
LIPG Q9Y5X9 1/20 0.34
MCL1 Q07820 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PRKDC P78527 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL14733974 0.77 TLR8 (0.41) BCHETLR8LIPGKDM4EMAPT
SCHEMBL28796038 0.77 BCHE (0.40) BCHELIPGKDM4EGAAMAPT
SCHEMBL14733975 0.75 SLC2A1 (0.56) KDM4E
SCHEMBL14733857 0.75 SLC2A1 (0.56) KDM4E
SCHEMBL14733918 0.73 SLC2A1 (0.57) KDM4E
SCHEMBL8676051 0.73 GAA (0.39) BCHELIPGKDM4EGAAMAPT
SCHEMBL2178352 0.71 LIPG (0.47) BCHELIPGMCL1KCNH3
SCHEMBL12861336 0.71 KDM4E (0.42) KDM4EGAAMAPT
SCHEMBL9340104 0.71 GAA (0.52) SIGMAR1MCL1KDM4EGAAMAPT
SCHEMBL2313397 0.69 MTNR1A (0.41) SIGMAR1MCL1KDM4EGAAMAPT

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-2331552-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed