SCHEMBL21228645

SCHEMBL21228645

C#CC(=O)OCCCCCCn1nnc(C(=O)OCCOCCOCCOC)c1C(=O)OCCOCCOCCOC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2B P18089 1/20 0.33
OPRD1 P41143 1/20 0.33
SCN5A Q14524 1/20 0.33
PTGES O14684 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HCAR3 P49019 1/20 0.31
MAPT P10636 1/20 0.31
TP53 P04637 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
SCHEMBL21228630 0.91 ABCB11 (0.34) TSHRLMNAMAPK1ABCB11CYP3A4
SCHEMBL21228671 0.88 LMNA (0.36) TSHRLMNAMAPK1ALDH1A1GAA
SCHEMBL21228700 0.85 PTGES (0.44) TSHRLMNAMAPK1PTGESALDH1A1
SCHEMBL21228707 0.84 ABCB11 (0.36) TSHRLMNAMAPK1ABCB11CYP3A4
SCHEMBL21220019 0.80
SCHEMBL21220014 0.79 LMNA (0.38) TSHRLMNAMAPK1ALDH1A1GAA
SCHEMBL21228617 0.78 ALDH1A1 (0.39) TSHRLMNAMAPK1CYP3A4ALDH1A1
SCHEMBL21220009 0.76 PTGES (0.46) TSHRLMNAMAPK1PTGESALDH1A1
SCHEMBL21220004 0.74 NPC1 (0.43) TSHRLMNAMAPK1PTGESGAA
SCHEMBL21220022 0.72 LMNA (0.40) TSHRLMNAMAPK1CYP3A4GAA

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
US-10927245-B2 Non-migratory internal plasticizers attached to a pendant covalent linkage THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-02-23 US disclosed
US-20190241727-A1 NON-MIGRATORY INTERNAL PLASTICIZERS ATTACHED TO A PENDANT COVALENT LINKAGE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-08-08 US disclosed