SCHEMBL8031986

SCHEMBL8031986

CCCCCCCCCCCCCCCCC1CNC(CCO)=N1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.34
MMP2 P08253 1/20 0.34
RAD52 P43351 1/20 0.34
GBA1 P04062 7/20 0.34
GLB1 P16278 1/20 0.34
GBA2 Q9HCG7 1/20 0.34
SCN2A Q99250 2/20 0.33
SPHK1 Q9NYA1 2/20 0.33
GUSB P08236 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL11807350 1.00 PSMD14 (0.34) PSMD14MMP2RAD52GBA1GLB1
SCHEMBL322316 1.00 PSMD14 (0.34) PSMD14MMP2RAD52GBA1GLB1
SCHEMBL8038131 1.00 PSMD14 (0.34) PSMD14MMP2RAD52GBA1GLB1
SCHEMBL2007679 1.00 PSMD14 (0.34) PSMD14MMP2RAD52GBA1GLB1
SCHEMBL9955184 1.00 PSMD14 (0.34) PSMD14MMP2RAD52GBA1GLB1
SCHEMBL8034064 1.00 PSMD14 (0.34) PSMD14MMP2RAD52GBA1GLB1
SCHEMBL5986996 1.00 PSMD14 (0.34) PSMD14MMP2RAD52GBA1GLB1
SCHEMBL9955799 1.00 PSMD14 (0.34) PSMD14MMP2RAD52GBA1GLB1
SCHEMBL8035780 0.94 PSMD14 (0.40) PSMD14MMP2RAD52GBA1GLB1
SCHEMBL8032041 0.94 PSMD14 (0.40) PSMD14MMP2RAD52GBA1GLB1

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-6042750-A TETRAALKYLAMMONIUM HALIDE, ALKYLENEDIAMINE, ALIPHATIC HYDROCARBON HYDROXY IMIDAZOLINE, POLYOXYETHYLENE GLYCOL ESTERS AND AMINES, TRIALKANOLAMINE, AND AMINE OXYALKYLATE; PIPES Docter, Joan (US) 2000-03-28 US disclosed