SCHEMBL21228630

SCHEMBL21228630

COCCOCCOCCOC(=O)c1nnn(CCCCCCOC(=O)C#CC(=O)OCCCCCCn2nnc(C(=O)OCCOCCOCCOC)c2C(=O)OCCOCCOCCOC)c1C(=O)OCCOCCOCCOC

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2B P18089 1/20 0.34
OPRD1 P41143 1/20 0.34
SCN5A Q14524 1/20 0.34
TSHR P16473 4/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
PTGES O14684 1/20 0.33
HCAR3 P49019 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TP53 P04637 2/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
SLC29A1 Q99808 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
SCHEMBL21228645 0.91 TSHR (0.33) ABCB11CYP3A4ADRA2BOPRD1SCN5A
SCHEMBL21220014 0.87 LMNA (0.38) TSHRLMNAMAPK1HCAR3ALDH1A1
SCHEMBL21228707 0.86 ABCB11 (0.36) ABCB11CYP3A4ADRA2BOPRD1SCN5A
SCHEMBL21220019 0.85
SCHEMBL21220009 0.85 PTGES (0.46) TSHRLMNAMAPK1PTGESALDH1A1
SCHEMBL21220004 0.82 NPC1 (0.43) TSHRLMNAMAPK1PTGESHCAR3
SCHEMBL21228671 0.79 LMNA (0.36) TSHRLMNAMAPK1HCAR3ALDH1A1
SCHEMBL21220008 0.77 ALDH1A1 (0.41) CYP3A4TSHRLMNAMAPK1HCAR3
SCHEMBL21228700 0.76 PTGES (0.44) TSHRLMNAMAPK1PTGESALDH1A1
SCHEMBL21220022 0.74 LMNA (0.40) CYP3A4TSHRLMNAMAPK1TP53

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