SCHEMBL5616653

SCHEMBL5616653

C=CCN(CC=C)Cc1[c]c(C)c[c]c1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
PYCR1 P32322 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9064897 0.76 ALDH1A1 (0.37) ALDH1A1LMNAHTTPYCR1KDM4E
SCHEMBL11376288 0.61 CRHR1 (0.33)
SCHEMBL5180587 0.61 NPC1 (0.31) HTT
SCHEMBL11526241 0.61 PYCR1 (0.52) ALDH1A1LMNAHTTPYCR1KDM4E
SCHEMBL742846 0.61 PYCR1 (0.43) ALDH1A1LMNAHTTPYCR1KDM4E
SCHEMBL11141204 0.60 PYCR1 (0.41) ALDH1A1LMNAHTTPYCR1KDM4E
SCHEMBL11137339 0.60 PYCR1 (0.55) ALDH1A1LMNAHTTPYCR1KDM4E
SCHEMBL11526249 0.59 MAPT (0.50) ALDH1A1LMNAHTTPYCR1KDM4E
SCHEMBL11142223 0.59 PYCR1 (0.38) ALDH1A1LMNAHTTPYCR1KDM4E
Water SCHEMBL1155699 0.59 TSHR (0.40) ALDH1A1LMNAHTT

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-1739130-A1 FLAME-RETARDANT RESIN COMPOSITION Kaneka Corporation (JP) 2007-01-03 EP disclosed