SCHEMBL16853373

SCHEMBL16853373

CCC(=O)NCC(C)(C)CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PSMB5 P28074 1/20 0.38
MMP8 P22894 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
EPHX1 P07099 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL16853203 0.82 SMYD3 (0.34) MMP8SMN1; SMN2HSD17B10CYP2D6CYP2C19
SCHEMBL16383649 0.80 MEN1 (0.34) MEN1KMT2APSMB5CYP2C9MTNR1A
SCHEMBL19561380 0.79 CYP2D6 (0.48) MMP8SMN1; SMN2HSD17B10CYP2D6CYP2C19
SCHEMBL12847744 0.79 MEN1 (0.46) MEN1KMT2APSMB5SMN1; SMN2HSD17B10
SCHEMBL13773142 0.78 MMP8 (0.33) KMT2AMMP8SMN1; SMN2HSD17B10CYP2C9
SCHEMBL619040 0.77 MEN1 (0.44) MEN1KMT2ASMN1; SMN2HSD17B10CYP2C9
SCHEMBL18923056 0.75 MEN1 (0.43) MEN1KMT2APSMB5SMN1; SMN2CYP2C9
SCHEMBL18569933 0.75 MEN1 (0.43) MEN1KMT2ASMN1; SMN2HSD17B10CYP2C9
SCHEMBL21793207 0.74 ALDH1A1 (0.36) MEN1KMT2APSMB5MMP8SMN1; SMN2
SCHEMBL19155877 0.74 ALDH1A1 (0.39)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4212180-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF The Scripps Research Institute (US) 2023-07-19 EP disclosed
WO-2022253283-A1 PROTEIN KINASE DEGRADANT AND USE THEREOF 中国科学院上海有机化学研究所 2022-12-08 WO disclosed
WO-2015095406-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-06-25 WO disclosed