SCHEMBL25801485

SCHEMBL25801485

CN(C)C(=O)C(CC(=O)OC(C)(C)C)N(C)C(=O)[C@H](C1CCCC1)N(C)C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
EPHX1 P07099 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
SCHEMBL24733706 0.84
SCHEMBL25801572 0.84
SCHEMBL24733659 0.84
SCHEMBL30051418 0.83 EPHX1 (0.32) EPHX1
SCHEMBL25801539 0.83 EPHX1 (0.32) EPHX1
SCHEMBL24733655 0.83 EPHX1 (0.32) EPHX1
SCHEMBL31185261 0.82
SCHEMBL25801571 0.82
SCHEMBL24734869 0.80 ABCB1 (0.40)
SCHEMBL25801463 0.80 CYP1A2 (0.35)

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-2023127869-A1 METHOD FOR PRODUCING N-ALKYL AMINO ACID AND PEPTIDE INCLUDING N-ALKYL AMINO ACID 中外製薬株式会社 2023-07-06 WO disclosed