SCHEMBL21228671

SCHEMBL21228671

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.36
TSHR P16473 3/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 4/20 0.36
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 4/20 0.35
TP53 P04637 2/20 0.35
HCAR3 P49019 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ESR1 P03372 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 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
SCHEMBL21220014 0.91 LMNA (0.38) LMNATSHRMAPK1MAPTATM
SCHEMBL21228645 0.88 TSHR (0.33) LMNATSHRMAPK1MAPTGAA
SCHEMBL21228617 0.87 ALDH1A1 (0.39) LMNATSHRMAPK1MAPTATM
SCHEMBL21228700 0.86 PTGES (0.44) LMNATSHRMAPK1GAAALDH1A1
SCHEMBL21220004 0.85 NPC1 (0.43) LMNATSHRMAPK1MAPTATM
SCHEMBL21220022 0.84 LMNA (0.40) LMNATSHRMAPK1MAPTATM
SCHEMBL21220012 0.83 LMNA (0.38) LMNATSHRMAPK1MAPTATM
SCHEMBL21228640 0.80 LMNA (0.35) LMNATSHRMAPK1MAPTATM
SCHEMBL21228623 0.79 NPC1 (0.49) LMNATSHRMAPK1MAPTL3MBTL1
SCHEMBL21228630 0.79 ABCB11 (0.34) LMNATSHRMAPK1GAAALDH1A1

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