SCHEMBL21228619

SCHEMBL21228619

CCCCOC(=O)c1nnn(C)c1C(=O)OCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
ESR1 P03372 8/20 0.44
TSHR P16473 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
PDE4D Q08499 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
ATM Q13315 2/20 0.40
HPGD P15428 2/20 0.39

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
SCHEMBL21228623 0.83 NPC1 (0.49) LMNAESR1TSHRCYP1A2CYP2C19
SCHEMBL21220022 0.79 LMNA (0.40) LMNAESR1TSHRCYP1A2CYP2C19
SCHEMBL21220012 0.78 LMNA (0.38) LMNAESR1TSHRMAPK1L3MBTL1
SCHEMBL21220014 0.76 LMNA (0.38) LMNAESR1TSHRCYP1A2CYP2C19
SCHEMBL21228671 0.75 LMNA (0.36) LMNAESR1TSHRMAPK1L3MBTL1
SCHEMBL3851646 0.74 MEN1 (0.59) LMNAESR1TSHRCYP1A2CYP2C19
SCHEMBL12590771 0.74 LMNA (0.45) LMNAESR1TSHRCYP1A2CYP2C19
SCHEMBL21228640 0.73 LMNA (0.35) LMNAESR1TSHRMAPK1L3MBTL1
SCHEMBL16268846 0.72 ESR1 (0.44) LMNAESR1TSHRCYP1A2CYP2C19
SCHEMBL28781530 0.72 L3MBTL1 (0.43) LMNAESR1TSHRCYP1A2CYP2C19

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