SCHEMBL4318608

SCHEMBL4318608

CC(=O)SC(O)C[N+](C)(C)C.[PbH2]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
SLC22A16 Q86VW1 1/20 0.40
TSHR P16473 2/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
TBXA2R P21731 1/20 0.39
BLM P54132 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GALR3 O60755 1/20 0.38
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 3/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 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
SCHEMBL77665 0.98 MAPT (0.41) MAPTSLC22A16TSHRCHRM2CHRM4
SCHEMBL6153646 0.98 MAPT (0.41) MAPTSLC22A16TSHRCHRM2CHRM4
Iodide SCHEMBL400576 0.95 MAPT (0.40) MAPTSLC22A16TSHRCHRM2CHRM4
Bromide SCHEMBL9233901 0.95 MAPT (0.40) MAPTSLC22A16TSHRCHRM2CHRM4
Hydrochloric Acid SCHEMBL1276371 0.95 MAPT (0.45) MAPTSLC22A16TSHRCHRM2CHRM4
Water SCHEMBL16322375 0.95 MAPT (0.40) MAPTSLC22A16TSHRCHRM2CHRM4
Hydrochloric Acid SCHEMBL8672876 0.95 MAPT (0.45) MAPTSLC22A16TSHRCHRM2CHRM4
Bromide SCHEMBL7172545 0.95 MAPT (0.40) MAPTSLC22A16TSHRCHRM2CHRM4
Perchlorate SCHEMBL9097182 0.90 SLC22A16 (0.41) MAPTSLC22A16TSHRCHRM2CHRM4
SCHEMBL8055941 0.76 MAPT (0.39) MAPTSLC22A16TSHRCHRM2CHRM4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2135843-B1 Nanostructured composite material and biosensor comprising it TSOUKALIS ACHILLEAS (GR) 2014-08-13 EP disclosed
US-8454509-B1 Nanostructured composite material and biosensor comprising it TSOUKALIS, ACHILLEAS (GR) 2013-06-04 US disclosed
US-20130122531-A1 NANOSTRUCTURED COMPOSITE MATERIAL AND BIOSENSOR COMPRISING IT Achilleas Tsoukalis (GR) 2013-05-16 US disclosed
EP-2135843-A1 Nanostructured composite material and biosensor comprising it Tsoukalis, Achilleas (GR) 2009-12-23 EP disclosed