SCHEMBL31607858

SCHEMBL31607858

CC(C)(C)OC(=O)N1CC=C(c2cccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK4 Q16654 1/20 0.47
▸ GRM5 P41594 7/20 0.45
▸ GRM1 Q13255 6/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ LNPEP Q9UIQ6 1/20 0.44
▸ TNK2 Q07912 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ BTK Q06187 1/20 0.41
▸ PRMT5 O14744 2/20 0.41
▸ WDR77 Q9BQA1 2/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ JAK1 P23458 1/20 0.40

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
SCHEMBL23301215 0.93 NAMPT (0.49) PDK4GRM5GRM1NAMPTLNPEP
SCHEMBL31443829 0.91 PDK4 (0.46) PDK4GRM5GRM1NAMPTLNPEP
SCHEMBL31444184 0.90 BTK (0.47) PDK4GRM5GRM1NAMPTLNPEP
SCHEMBL29197745 0.90 PDK4 (0.45) PDK4GRM5GRM1NAMPTTNK2
SCHEMBL31630894 0.90 PDK4 (0.45) PDK4GRM5GRM1NAMPTTNK2
SCHEMBL30511793 0.88 PDK4 (0.45) PDK4GRM5GRM1NAMPTLNPEP
SCHEMBL30201557 0.88 WNT3A (0.48) PDK4GRM5GRM1NAMPTTNK2
SCHEMBL25143682 0.88 WNT3A (0.48) PDK4GRM5GRM1NAMPTTNK2
SCHEMBL24880538 0.86 PDK4 (0.46) PDK4GRM5GRM1HTR6BTK
SCHEMBL30112411 0.86 PDK4 (0.46) PDK4GRM5GRM1HTR6BTK

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-120092003-A CDK protein degrading agents, pharmaceutical compositions and therapeutic uses 拜欧斯瑞克斯公司 2025-06-03 — — CN disclosed
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