SCHEMBL19963575

SCHEMBL19963575

C=C(C)C(=O)OCCNC(=O)NCC(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
TET2 Q6N021 1/20 0.42
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.39
EPHX2 P34913 2/20 0.37
RECQL P46063 1/20 0.37
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NLRP3 Q96P20 1/20 0.33
HSD17B10 Q99714 1/20 0.32
GAA P10253 2/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL2195083 0.88 THRB (0.52) THRBTSHRALDH1A1EPHX2POLB
SCHEMBL25564124 0.88 THRB (0.40) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL19963663 0.87 THRB (0.42) THRBTSHRALDH1A1EPHX2CA12
SCHEMBL17298819 0.85 THRB (0.43) THRBTSHRALDH1A1EPHX2POLB
SCHEMBL11837742 0.85 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL19968189 0.84 EPHX2 (0.44) THRBTSHRALDH1A1EPHX2CA12
SCHEMBL25765284 0.84 THRB (0.42) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL22663637 0.84 THRB (0.42) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14509468 0.83 THRB (0.35) THRBTSHRALDH1A1
SCHEMBL14509323 0.83 TSHR (0.40) THRBTSHRALDH1A1GAA

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
WO-2023248020-A1 BLOCK COPOLYMERS GRAFTED TO POROUS POLYMERIC SUBSTRATE 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-12-28 WO disclosed
WO-2018048698-A1 PROCESSES FOR SEPARATING AGGREGATED PROTEINS FROM MONOMERIC PROTEINS IN A BIOLOGICAL SOLUTION 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-03-15 WO disclosed
WO-2018048696-A1 FUNCTIONALIZED COPOLYMERS AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-03-15 WO disclosed