SCHEMBL28716306

SCHEMBL28716306

CC(C)(C)OC(=O)N1CCN(c2ccc3c(C=O)c(C(=O)O)oc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ PDK2 Q15119 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ GPR119 Q8TDV5 6/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NAMPT P43490 1/20 0.41

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
SCHEMBL29433670 1.00 MAPT (0.46) MAPTLMNAALDH1A1PDK2SMN1; SMN2
SCHEMBL28718593 0.88 MAPT (0.43) MAPTLMNAALDH1A1PDK2SMN1; SMN2
SCHEMBL29433673 0.88 MAPT (0.43) MAPTLMNAALDH1A1PDK2SMN1; SMN2
SCHEMBL2394813 0.80 MAPT (0.53) MAPTLMNAALDH1A1PDK2SMN1; SMN2
SCHEMBL14304472 0.79 ALDH1A1 (0.55) MAPTLMNAALDH1A1SMN1; SMN2GPR119
SCHEMBL3201431 0.77 CA12 (0.52) MAPTLMNAALDH1A1PDK2SMN1; SMN2
SCHEMBL21113046 0.77 MAPT (0.49) MAPTLMNAALDH1A1PDK2SMN1; SMN2
SCHEMBL29433684 0.76 KDM4E (0.35) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL28707411 0.76 KDM4E (0.35) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL20231910 0.75 MAPT (0.52) MAPTLMNAALDH1A1PDK2SMN1; SMN2

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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