SCHEMBL21220004

SCHEMBL21220004

CCCCOC(=O)c1nnn(CCCCCCOC(=O)C#CC(=O)OCCCCCCn2nnc(C(=O)O)c2C(=O)O)c1C(=O)OCCCC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
PTGES O14684 8/20 0.41
HCAR3 P49019 2/20 0.37
LMNA P02545 5/20 0.36
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.34
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 2/20 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
SCHEMBL21220014 0.94 LMNA (0.38) NPC1HCAR3LMNATSHRMAPK1
SCHEMBL22987052 0.88 PTGES (0.34) NPC1PTGESHCAR3LMNATSHR
SCHEMBL21228671 0.85 LMNA (0.36) NPC1HCAR3LMNATSHRMAPK1
SCHEMBL21228630 0.82 ABCB11 (0.34) PTGESHCAR3LMNATSHRMAPK1
SCHEMBL21220022 0.81 LMNA (0.40) LMNATSHRMAPK1MAPTATM
SCHEMBL21220008 0.81 ALDH1A1 (0.41) HCAR3LMNATSHRMAPK1MAPT
SCHEMBL21220009 0.80 PTGES (0.46) PTGESLMNATSHRMAPK1GAA
SCHEMBL21220012 0.79 LMNA (0.38) NPC1HCAR3LMNATSHRMAPK1
SCHEMBL21228640 0.77 LMNA (0.35) NPC1HCAR3LMNATSHRMAPK1
SCHEMBL21228623 0.75 NPC1 (0.49) NPC1LMNATSHRMAPK1MAPT

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 3 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
WO-2019152777-A2 NON-MIGRATORY INTERNAL PLASTICIZERS ATTACHED TO A PENDANT COVALENT LINKAGE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-08-08 WO 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