SCHEMBL777043

SCHEMBL777043

CC(O)N(CCCCS(=O)(=O)O)C(C)O.[NaH]

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
PTGS1 P23219 1/20 0.30
PDE4A P27815 1/20 0.30
LMNA P02545 1/20 0.30
SLC6A6 P31641 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL3725615 0.98 APP (0.38) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL3295560 0.85 PTGS1 (0.33) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL239207 0.83 PTGS1 (0.35) APPPTGS1PDE4ALMNASLC6A6
Ammonia Solution, Strong SCHEMBL6765826 0.81 PTGS1 (0.33) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL777042 0.78 GMNN (0.39) LMNA
Sulfuric Acid SCHEMBL1131723 0.75 TP53 (0.45)
SCHEMBL8764178 0.75 TSHR (0.35)
SCHEMBL11111152 0.73
SCHEMBL1131512 0.73 TP53 (0.39)
SCHEMBL11111153 0.73 CA1 (0.30)

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-20120069419-A1 ELECTROCHROMIC FORMULATION, METHOD FOR THE PRODUCTION THEREOF, AND ORGANIC ELECTROCHROMIC COMPONENT SIEMENS AKTIENGESELLSCHAFT (DE) 2012-03-22 US disclosed