SCHEMBL29004910

SCHEMBL29004910

CCC(C)(C)C(=O)On1c(O)c2ccccc2c1O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 12/20 0.41
▸ KDM4E B2RXH2 3/20 0.35
▸ RCE1 Q9Y256 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL29004882 0.80 KDM4E (0.40) RIPK1KDM4EALDH1A1LMNA
SCHEMBL29004876 0.77 KMT2A (0.44) KDM4ERCE1ALDH1A1LMNA
SCHEMBL29004878 0.75 ELANE (0.41) KDM4EALDH1A1NR4A2HPGD
SCHEMBL15447048 0.71 LMNA (0.45) RIPK1ALDH1A1BRD4LMNA
SCHEMBL8737612 0.71 RIPK1 (0.41) RIPK1KDM4EALDH1A1HPGDLMNA
SCHEMBL14648738 0.71 ALDH1A1 (0.43) RIPK1KDM4EALDH1A1HPGDLMNA
SCHEMBL8737835 0.69 ESR1 (0.44) RIPK1LMNA
SCHEMBL14258828 0.68 RIPK1 (0.41) RIPK1
SCHEMBL20408461 0.68 KDM4E (0.48) RIPK1KDM4EALDH1A1HPGDLMNA
SCHEMBL131278 0.67 ELANE (0.51) RIPK1

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-113668004-B Method for electrochemical synthesis of non-natural amino acid derivatives 浙江工业大学 2023-05-23 — — CN disclosed
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