SCHEMBL3803602

SCHEMBL3803602

CCCCCS(=O)(=O)C(C)OC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.46
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.39
FAAH O00519 5/20 0.36
CES1 P23141 5/20 0.35
CES2 O00748 2/20 0.35
AKR1B1 P15121 1/20 0.34

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
SCHEMBL28613977 0.94 CA2 (0.39) CA2TP53LMNAAKR1B1
SCHEMBL3803592 0.87 CA2 (0.47) CA2TP53LMNAFAAHCES1
SCHEMBL7714526 0.84 CA2 (0.49) CA2TP53LMNAFAAHCES1
SCHEMBL28613976 0.81 CA2 (0.40) CA2TP53LMNAFAAH
SCHEMBL5872131 0.80 TSHR (0.45) CA2TP53LMNAFAAHCES1
SCHEMBL7432146 0.75 CA2 (0.50) CA2TP53FAAHCES1CES2
SCHEMBL8914952 0.74 CA2 (0.50) CA2FAAHCES1
SCHEMBL9635419 0.73 CA2 (0.53) CA2FAAHCES1CES2
SCHEMBL8364457 0.73 CA2 (0.53) CA2FAAHCES1CES2
SCHEMBL6578404 0.73 CA2 (0.53) CA2FAAHCES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209496-A2 MULTIFUNCTIONAL DEGRADABLE NANOPARTICLES WITH CONTROL OVER SIZE AND FUNCTIONALITIES VANDERBILT UNIVERSITY (US) 2010-07-28 EP disclosed
WO-2009061854-A2 MULTIFUNCTIONAL DEGRADABLE NANOPARTICLES WITH CONTROL OVER SIZE AND FUNCTIONALITIES VANDERBILT UNIVERSITY (US) 2009-05-14 WO disclosed