SCHEMBL7112431

SCHEMBL7112431

CCC[N+](CCC)(CCC)CCO.CC[N+](CC)(CC)CCOCC[N+](CC)(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.42
DNM1 Q05193 6/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 2/20 0.37
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNA4 P43681 2/20 0.33
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
ALOX15 P16050 1/20 0.32
ACHE P22303 1/20 0.32
KCNH2 Q12809 1/20 0.32
HIF1A Q16665 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
SCHEMBL26645125 0.89 SLC22A1 (0.43) SLC22A1DNM1MEN1THRBHTT
SCHEMBL7112436 0.89 SLC22A1 (0.53) SLC22A1DNM1TSHRCHRNB2CHRNB4
SCHEMBL18830990 0.85 HSD17B10 (0.44) SLC22A1DNM1MEN1THRBHTT
Water SCHEMBL28477638 0.84 SLC22A1 (0.53) SLC22A1DNM1TSHRLMNA
SCHEMBL18830949 0.83 HSD17B10 (0.40) MEN1THRBHTTKMT2AMAPT
SCHEMBL12936633 0.83 MEN1 (0.45) SLC22A1DNM1MEN1THRBHTT
SCHEMBL13391152 0.83 TSHR (0.46) MEN1THRBHTTKMT2AMAPT
SCHEMBL12937455 0.83 MEN1 (0.45) SLC22A1DNM1MEN1THRBHTT
SCHEMBL8045306 0.82 SLC22A1 (0.62) SLC22A1DNM1MEN1THRBHTT
SCHEMBL7648744 0.80 MEN1 (0.52) DNM1MEN1THRBHTTKMT2A

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-0928809-B1 POLYSACCHARIDE DERIVATIVE/MAGNETIC METAL OXIDE COMPOSITE MEITO SANGYO KK (JP) 2003-10-22 EP disclosed