SCHEMBL28926164

SCHEMBL28926164

CC(C)(C)N(C(=O)CCCCN[C]=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
ALDH1A1 P00352 1/20 0.31
PAOX Q6QHF9 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
SCHEMBL29271959 0.72 SOAT1 (0.36) HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL7001509 0.70 LMNA (0.52) ALDH1A1
SCHEMBL8085870 0.70 MAOA (0.34) PAOX
SCHEMBL12084036 0.70 ALDH1A1 (0.56) ALDH1A1
SCHEMBL6005312 0.69 TSHR (0.56) ALDH1A1
SCHEMBL8176275 0.69 CYP1A2 (0.50) ALDH1A1
SCHEMBL7002085 0.69 PRMT1 (0.56) ALDH1A1
SCHEMBL19806026 0.69 LMNA (0.34) HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL5208056 0.69 LMNA (0.34) HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL770727 0.69 PRMT1 (0.56) ALDH1A1

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-113376964-A Coloring composition and compound 住友化学株式会社 2021-09-10 CN disclosed