SCHEMBL31306782

SCHEMBL31306782

CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1ccc(N3CCC(=O)NC3=O)cc1)C2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.48
▸ CYP2C19 P33261 4/20 0.48
▸ USP2 O75604 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ DDB1 Q16531 5/20 0.47
▸ CRBN Q96SW2 5/20 0.47
▸ MAPK1 P28482 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ GPR119 Q8TDV5 5/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ ACACB O00763 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
SCHEMBL30768912 0.94 CYP11B2 (0.46) CYP3A4CYP2C19USP2HSD17B10ALDH1A1
SCHEMBL30724065 0.90 CYP11B2 (0.49) CYP3A4CYP2C19ALDH1A1DDB1CRBN
SCHEMBL22119507 0.88 DDB1 (0.59) CYP2C19ALDH1A1DDB1CRBNSMN1; SMN2
SCHEMBL25632150 0.85 DDB1 (0.49) ALDH1A1DDB1CRBNGPR119LMNA
SCHEMBL25632146 0.84 DDB1 (0.50) ALDH1A1DDB1CRBNGPR119LMNA
SCHEMBL12004996 0.83 CYP3A4 (0.55) CYP3A4CYP2C19USP2HSD17B10ALDH1A1
SCHEMBL24480492 0.83 GPR119 (0.66) ALDH1A1DDB1CRBNGPR119LMNA
SCHEMBL25027321 0.82 DDB1 (0.55) CYP3A4CYP2C19USP2HSD17B10ALDH1A1
SCHEMBL27390807 0.81 CYP3A4 (0.56) CYP3A4CYP2C19USP2HSD17B10ALDH1A1
SCHEMBL30501294 0.81 MEN1 (0.55) ALDH1A1DDB1CRBNGPR119LMNA

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-119431366-A IRAK4 degradation agent compound and application thereof 江苏先声药业有限公司 2025-02-14 — — CN disclosed
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