SCHEMBL29201825

SCHEMBL29201825

C=C(C)C(=O)OCC[N+](C)(C)Cc1ccc(C(=O)c2ccc(C[N+](C)(C)CCOC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ELANE P08246 1/20 0.41
THRB P10828 2/20 0.37
TSHR P16473 3/20 0.36
ACHE P22303 3/20 0.35
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP19A1 P11511 1/20 0.33
PSMD14 O00487 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MMP2 P08253 1/20 0.33
MC4R P32245 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
SCHEMBL14997833 0.95 ELANE (0.50) HTTPOLBAPEX1TDP1ELANE
Hydrochloric Acid SCHEMBL9350965 0.95 ELANE (0.50) HTTPOLBAPEX1TDP1ELANE
Bromide SCHEMBL4904449 0.94 ELANE (0.49) HTTPOLBAPEX1TDP1ELANE
SCHEMBL23375503 0.93 THRB (0.42) HTTPOLBAPEX1TDP1THRB
Hydrochloric Acid SCHEMBL6560373 0.90 POLB (0.54) HTTPOLBAPEX1TDP1ELANE
Hydrochloric Acid SCHEMBL166563 0.86 MEN1 (0.45) HTTPOLBAPEX1TDP1THRB
SCHEMBL1476595 0.86 MEN1 (0.45) HTTPOLBAPEX1TDP1THRB
Bromide SCHEMBL2250534 0.84 MEN1 (0.44) HTTPOLBAPEX1TDP1THRB
Iodide SCHEMBL2252213 0.84 MEN1 (0.44) HTTPOLBAPEX1TDP1THRB
Fluoride Ion SCHEMBL14815797 0.84 MEN1 (0.44) HTTPOLBAPEX1TDP1THRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117756979-A Water-soluble macromolecule modified diphenyl ketone photoinitiator and preparation method thereof 南昌航空大学 2024-03-26 CN disclosed