SCHEMBL23749797

SCHEMBL23749797

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

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
MMP13 P45452 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
CYP2D6 P10635 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL26449223 1.00 HDAC6 (0.32) HDAC6HDAC1HDAC2MMP13AAK1
SCHEMBL26449279 1.00 HDAC6 (0.32) HDAC6HDAC1HDAC2MMP13AAK1
SCHEMBL59435 0.87 CA1 (0.33) HDAC6HDAC1HDAC2MMP13AAK1
SCHEMBL2160514 0.87 CA1 (0.33) HDAC6HDAC1HDAC2MMP13AAK1
SCHEMBL67120 0.87 CA1 (0.33) HDAC6HDAC1HDAC2MMP13AAK1
SCHEMBL1486172 0.86 AAK1 (0.32) HDAC6HDAC1HDAC2MMP13AAK1
SCHEMBL6843570 0.86 AAK1 (0.32) HDAC6HDAC1HDAC2MMP13AAK1
SCHEMBL28520254 0.86 AAK1 (0.32) HDAC6HDAC1HDAC2MMP13AAK1
SCHEMBL1486174 0.86 AAK1 (0.32) HDAC6HDAC1HDAC2MMP13AAK1
SCHEMBL28058555 0.86 CA1 (0.32) HDAC6HDAC1HDAC2MMP13AAK1

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-2021158899-A1 ELONGATION FACTOR 1-ALPHA INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-12 WO disclosed