SCHEMBL30475447

SCHEMBL30475447

O=C1CCC(c2cnc(N3CCC4(CC3)CN(C(=O)O)C4)nc2)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 14/20 0.41
DDB1 Q16531 13/20 0.41
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL25035460 0.85 DDB1 (0.52) CRBNDDB1
SCHEMBL25035459 0.83 CRBN (0.44) CRBNDDB1HSD17B10TSHRCYP3A4
SCHEMBL30136007 0.82 CRBN (0.48) CRBNDDB1HSD17B10TSHRCYP3A4
SCHEMBL25825240 0.81 CRBN (0.41) CRBNDDB1
SCHEMBL25192137 0.81 KDM4E (0.51) CRBNDDB1HSD17B10CYP2C19
SCHEMBL25188466 0.81 KDM4E (0.51) CRBNDDB1HSD17B10CYP2C19
SCHEMBL31487437 0.79 DDB1 (0.51) CRBNDDB1HSD17B10CYP3A4ALDH1A1
SCHEMBL25209668 0.78 KDM4E (0.46) CRBNDDB1HSD17B10TSHRCYP2C19
SCHEMBL25188969 0.76 CRBN (0.38) CRBNDDB1HSD17B10ALDH1A1CYP2C19
SCHEMBL24671266 0.76 CRBN (0.44) CRBNDDB1

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-116322700-B Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-08-20 CN disclosed
CN-116322700-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-23 CN disclosed