SCHEMBL25818073

SCHEMBL25818073

CC(C)C(=O)C1CCN(c2ccc(N3CCC(=O)NC3=O)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 9/20 0.51
▸ DDB1 Q16531 8/20 0.51
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ USP2 O75604 1/20 0.40
▸ MAPT P10636 2/20 0.36
▸ NOTUM Q6P988 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ ME3 Q16798 1/20 0.34

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
SCHEMBL24671496 0.85 DDB1 (0.56) CRBNDDB1ALDH1A1KDM4EHPGD
SCHEMBL29794453 0.84 DDB1 (0.50) CRBNDDB1ALDH1A1KDM4EHPGD
SCHEMBL25504627 0.81 DDB1 (0.47) CRBNDDB1ALDH1A1KDM4EHPGD
SCHEMBL30694209 0.81 NOTUM (0.58) CRBNDDB1NOTUM
SCHEMBL30694156 0.81 NOTUM (0.58) CRBNDDB1NOTUM
SCHEMBL25193821 0.80 DDB1 (0.49) CRBNDDB1ALDH1A1KDM4EHPGD
SCHEMBL25416997 0.79 DDB1 (0.49) CRBNDDB1ALDH1A1MAPTNOTUM
SCHEMBL25818095 0.79 DDB1 (0.48) CRBNDDB1ALDH1A1KDM4EHPGD
SCHEMBL25504703 0.79 DDB1 (0.45) CRBNDDB1ALDH1A1KDM4EHPGD
SCHEMBL29096730 0.79 DDB1 (0.50) CRBNDDB1ALDH1A1KDM4EHPGD

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
WO-2023116934-A1 KRASG12D PROTEIN HYDROLYSIS REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州泽璟生物制药股份有限公司 2023-06-29 — — WO disclosed
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