SCHEMBL28719360

SCHEMBL28719360

CCOC(=O)c1oc2cc(N3CCC(CC(OC)OC)CC3)ccc2c1C=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.41
▸ USP2 O75604 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LGMN Q99538 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ERN1 O75460 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL29433685 1.00 TSHR (0.41) TSHRUSP2MAPTHTTNPSR1
SCHEMBL28719350 0.89 TSHR (0.40) TSHRUSP2MAPTHTTNPSR1
SCHEMBL29433687 0.89 TSHR (0.40) TSHRUSP2MAPTHTTNPSR1
SCHEMBL29433692 0.89 DGAT1 (0.35) USP2MAPTALDH1A1MEN1KMT2A
SCHEMBL28708076 0.89 DGAT1 (0.35) USP2MAPTALDH1A1MEN1KMT2A
SCHEMBL29433673 0.77 MAPT (0.43) TSHRMAPTHTTNPSR1ALDH1A1
SCHEMBL28718593 0.77 MAPT (0.43) TSHRMAPTHTTNPSR1ALDH1A1
SCHEMBL28707411 0.77 KDM4E (0.35) USP2MAPTHTTALDH1A1MEN1
SCHEMBL29433684 0.77 KDM4E (0.35) USP2MAPTHTTALDH1A1MEN1
SCHEMBL22907105 0.72 HTR6 (0.39) USP2MAPTNPSR1ALDH1A1MEN1

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-114163444-B Chimeric compound for androgen receptor protein targeted degradation, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-07-14 — — CN disclosed
CN-114163444-A Chimeric compound for targeted degradation of androgen receptor protein, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-03-11 — — CN disclosed
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