SCHEMBL21220009

SCHEMBL21220009

COC(=O)c1nnn(CCCCCCOC(=O)C#CC(=O)OCCCCCCn2nnc(C(=O)OC)c2C(=O)OC)c1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.46
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 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
SCHEMBL21228700 0.90 PTGES (0.44) PTGESLMNAGAANPSR1TP53
SCHEMBL21220014 0.85 LMNA (0.38) LMNAGAATP53CYP1A2SMN1; SMN2
SCHEMBL21228630 0.85 ABCB11 (0.34) PTGESLMNAGAATP53SMN1; SMN2
SCHEMBL21225597 0.84 PTGES (0.45) PTGESLMNAGAANPSR1TP53
SCHEMBL21220024 0.81 PTGES (0.51) PTGESLMNAGAANPSR1TP53
SCHEMBL21220004 0.80 NPC1 (0.43) PTGESLMNAGAATP53TSHR
SCHEMBL21220008 0.78 ALDH1A1 (0.41) LMNAGAATP53TSHRMAPK1
SCHEMBL21228671 0.76 LMNA (0.36) LMNAGAATP53TSHRMAPK1
SCHEMBL21228645 0.76 TSHR (0.33) PTGESLMNAGAATP53TSHR
SCHEMBL12251014 0.75 PTGES (0.55) PTGESLMNAGAANPSR1TP53

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 5 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-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
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