SCHEMBL28534985

SCHEMBL28534985

CCOC(=O)C(C)NCC(O)COc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.48
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
RAD52 P43351 1/20 0.45
ADRB2 P07550 4/20 0.44
ADRB1 P08588 3/20 0.44
ADRB3 P13945 2/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL30880062 1.00 ABCB1 (0.48) ABCB1LMNAL3MBTL1RAB9AMEN1
SCHEMBL23432064 1.00 ABCB1 (0.48) ABCB1LMNAL3MBTL1RAB9AMEN1
SCHEMBL23403561 0.89 RAB9A (0.50) ABCB1RAB9AMEN1KMT2AADRB2
SCHEMBL21634023 0.85 ADRB2 (0.63) ADRB2ADRB1ADRB3CYP2D6
SCHEMBL18529890 0.85 ADRB2 (0.63) ADRB2ADRB1ADRB3CYP2D6
SCHEMBL29742209 0.85 ADRB2 (0.63) ADRB2ADRB1ADRB3CYP2D6
SCHEMBL29721075 0.85 ADRB2 (0.63) ADRB2ADRB1ADRB3CYP2D6
SCHEMBL28519689 0.79 ADRB2 (0.57) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL21634046 0.79 ADRB2 (0.57) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL30628434 0.79 ADRB2 (0.57) MEN1KMT2AADRB2ADRB1ADRB3

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-112424160-A Novel P62 ligand compound and composition for preventing, ameliorating or treating protein conformational diseases comprising the same 普罗泰克株式会社 2021-02-26 CN disclosed
CN-112424159-A Novel P62 ligand compound and composition for preventing, ameliorating or treating protein conformational diseases comprising the same 普罗泰克株式会社 2021-02-26 CN disclosed