SCHEMBL29912822

SCHEMBL29912822

CCCC[PH](CCCC)(CCCC)CCCC.CCCC[PH](CCCC)(CCCC)CCCC.COC(=O)c1cc(C(=O)OC)cc(P(=O)(O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
NFKB1 P19838 1/20 0.37
XDH P47989 1/20 0.37
GFER P55789 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
FUT7 Q11130 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL666091 0.83 CA12 (0.52) KDM4ELMNAALDH1A1CA12CA1
Potassium SCHEMBL29912694 0.81 CA12 (0.50) KDM4ELMNAALDH1A1CA12CA1
SCHEMBL29912668 0.81 CA12 (0.50) KDM4ELMNAALDH1A1CA12CA1
SCHEMBL27797006 0.79 LOXL2 (0.51) KDM4EALDH1A1L3MBTL1POLBNPC1
SCHEMBL3138869 0.77 LCK (0.41) KDM4ELMNAALDH1A1CA12CA1
SCHEMBL29912437 0.76 CNR1 (0.34) KDM4ELMNAALDH1A1CA12CA1
SCHEMBL29912678 0.75 ERAP2 (0.35) KDM4ELMNAALDH1A1CA12CA1
Methyl Benzoate SCHEMBL28696051 0.74 TSHR (0.63) LMNAALDH1A1CA1CA2L3MBTL1
SCHEMBL8165343 0.74 MGLL (0.40) KDM4ELMNAALDH1A1CA2HSD17B10
SCHEMBL7596147 0.74 NPC1 (0.43) KDM4ELMNAALDH1A1CA12CA1

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
CN-115197270-B Self-catalytic functional reaction monomer, self-catalytic polymerization and self-catalytic depolymerization functional copolymer, and preparation method and application thereof 四川大学 2024-11-08 CN disclosed
CN-115197270-A Self-catalytic functional reaction monomer, self-catalytic polymerization and self-catalytic depolymerization functional copolymer, and preparation method and application thereof 四川大学 2022-10-18 CN disclosed